SCHEMBL8939515

SCHEMBL8939515

NCCc1cccc2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
HTR2C P28335 2/20 0.50
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
TAAR1 Q96RJ0 7/20 0.44
TBXA2R P21731 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DHFR P00374 2/20 0.40
HMGB1 P09429 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL19775787 0.98 HTR2A (0.49) HTR2AHTR2CBCL2L1BADTAAR1
SCHEMBL9720039 0.88 BCL2L1 (0.54) HTR2AHTR2CBCL2L1BADTBXA2R
SCHEMBL172968 0.84 PNMT (0.52) HTR2AHTR2CBCL2L1BADTBXA2R
SCHEMBL10602990 0.82 PNMT (0.50) HTR2AHTR2CBCL2L1BADTBXA2R
Hydrochloric Acid SCHEMBL10647798 0.81 PNMT (0.49) HTR2AHTR2CBCL2L1BADTBXA2R
SCHEMBL3886272 0.81 BCL2L1 (0.52) BCL2L1BADTBXA2RALDH1A1DHFR
SCHEMBL10535124 0.80 PNMT (0.52) HTR2AHTR2CBCL2L1BADTBXA2R
SCHEMBL7818234 0.79 BCL2L1 (0.50) BCL2L1BADTBXA2RALDH1A1DHFR
SCHEMBL6368014 0.78 BCL2L1 (0.44) BCL2L1BADTBXA2RALDH1A1DHFR
SCHEMBL6256898 0.78 ALDH1A1 (0.44) BCL2L1BADTBXA2RALDH1A1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11465989-B2 Guanidine compounds and use thereof ImmunoMet Therapeutics, Inc. (US) 2022-10-11 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
EP-0563132-B1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES BLACK JAMES FOUNDATION (GB) 1996-02-07 EP disclosed
US-5486597-A GASTRIN ANTAGONIST AS ANTISECRETORY AGENTS OF GASTRIC JUICE FOR STOMACH CANCER JAMES BLACK FOUNDATION LIMITED (GB) 1996-01-23 US disclosed
WO-1992011284-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES THE JAMES BLACK FOUNDATION LIMITED (GB) 1992-07-09 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 (2 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-11465989-B2 Guanidine compounds and use thereof PC, TFAM, PCK2 HTR2A 3793/4885HTR2C 4266/4885BCL2L1 2830/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 HTR2A 3793/4885HTR2C 4266/4885BCL2L1 2830/4885

“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.