SCHEMBL787022

SCHEMBL787022

COc1cccc(CCNC2CCCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
CHRM3 P20309 1/20 0.60
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
TSHR P16473 1/20 0.55
HRH3 Q9Y5N1 3/20 0.54
KDM4E B2RXH2 1/20 0.52
TAAR1 Q96RJ0 2/20 0.51
SIGMAR1 Q99720 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL12204184 0.99 ALDH1A1 (0.72) ALDH1A1CHRM2CHRM1CHRM3LMNA
SCHEMBL5678905 0.84 ALDH1A1 (0.97) ALDH1A1LMNAPKMHTTTSHR
SCHEMBL787034 0.81 KDM4E (0.67) ALDH1A1TSHRHRH3KDM4ETAAR1
SCHEMBL1635888 0.81 FOXM1 (0.58) ALDH1A1KDM4ETAAR1
SCHEMBL5561766 0.80 KDM4E (0.65) ALDH1A1HTTTSHRKDM4ETAAR1
Hydrochloric Acid SCHEMBL11482414 0.80 CHRM2 (0.54) ALDH1A1CHRM2CHRM1CHRM3HRH3
SCHEMBL17484522 0.80 GRIN2B (0.57) ALDH1A1CHRM2CHRM1CHRM3HRH3
Hydrochloric Acid SCHEMBL7335860 0.79 POLB (0.74) CHRM2CHRM1CHRM3SIGMAR1POLB
SCHEMBL1040185 0.78 ALDH1A1 (0.88) ALDH1A1CHRM2LMNAPKMHTT
SCHEMBL6542960 0.78 TAAR1 (0.56) ALDH1A1TSHRKDM4ETAAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 US disclosed
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 US disclosed
CN-109988109-B Amine compound for inhibiting SSAO/VAP-1 and application thereof 广东东阳光药业有限公司 2020-12-29 CN disclosed
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-12-03 US disclosed
US-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
WO-2011116356-A2 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 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 (3 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C ALDH1A1 4343/4885CHRM2 76/4885CHRM1 73/4885
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof VCAM1, VAPB, ICAM1 ALDH1A1 31/4885CHRM2 1635/4885CHRM1 1173/4885
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF VCAM1, VAPB, ICAM1 ALDH1A1 31/4885CHRM2 1635/4885CHRM1 1173/4885

“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.