SCHEMBL15739698

SCHEMBL15739698

N=C(N)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
TSHR P16473 1/20 0.68
EPHX2 P34913 8/20 0.53
HSD17B10 Q99714 1/20 0.52
P2RX7 Q99572 4/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28488097 0.98 ALDH1A1 (0.66) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL13556180 0.94 ALDH1A1 (0.61) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL18624772 0.85 ALDH1A1 (0.59) ALDH1A1TSHREPHX2HSD17B10P2RX7
Hydrochloric Acid SCHEMBL17186360 0.83 ALDH1A1 (0.58) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL6158162 0.83 ALDH1A1 (0.61) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL2290939 0.81 ALDH1A1 (1.00) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL1239130 0.80 EPHX2 (0.56) ALDH1A1TSHREPHX2P2RX7L3MBTL1
SCHEMBL5889272 0.79 ALDH1A1 (0.57) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL11495581 0.79 ALDH1A1 (0.68) ALDH1A1TSHREPHX2HSD17B10P2RX7
Iodide SCHEMBL1714835 0.79 EPHX2 (0.54) ALDH1A1TSHREPHX2P2RX7L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-13 US disclosed
US-11155521-B2 Cannabinoid receptor mediating compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-10-26 US disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
US-10787419-B2 Cannabinoid receptor mediating iminopyrazole compounds THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-09-29 US disclosed
US-10683270-B2 Cannabinoid receptor mediating compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-16 US disclosed
US-20190352268-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2019-11-21 US disclosed
US-20180022705-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2018-01-25 US disclosed
US-20180022706-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-01-25 US disclosed
US-9765031-B2 Cannabinoid receptor mediating compounds THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-09-19 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN disclosed
WO-2016196646-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMET OF HEALTH & HUMAN SERVICES (US) 2016-12-08 WO disclosed
US-20160257654-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2016-09-08 US disclosed
US-20160039766-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY TH E SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVI (US) 2016-02-11 US disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
WO-2014078309-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2014-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 ALDH1A1 3508/4885TSHR 606/4885EPHX2 1009/4885
US-10787419-B2 Cannabinoid receptor mediating iminopyrazole compounds CNR1, CNR2, GPR18 ALDH1A1 3326/4885TSHR 810/4885EPHX2 1782/4885
US-20180022705-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 ALDH1A1 3508/4885TSHR 606/4885EPHX2 1009/4885
US-10683270-B2 Cannabinoid receptor mediating compounds CNR1, CNR2, GPR18 ALDH1A1 3508/4885TSHR 606/4885EPHX2 1009/4885
US-20190352268-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 ALDH1A1 3508/4885TSHR 606/4885EPHX2 1009/4885
US-20160257654-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 ALDH1A1 3880/4885TSHR 611/4885EPHX2 1148/4885
US-20180022706-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 ALDH1A1 3508/4885TSHR 606/4885EPHX2 1009/4885
US-20160039766-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 ALDH1A1 3508/4885TSHR 606/4885EPHX2 1009/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 ALDH1A1 1471/4885TSHR 4596/4885EPHX2 4391/4885
US-11155521-B2 Cannabinoid receptor mediating compounds CNR1, CNR2, GPR18 ALDH1A1 3880/4885TSHR 611/4885EPHX2 1148/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.