SCHEMBL629627

SCHEMBL629627

COc1cc(N)c(Cl)cc1C=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 7/20 0.57
TSHR P16473 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GAA P10253 4/20 0.51
ERN1 O75460 4/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 1/20 0.46
PRKDC P78527 1/20 0.43
MAPT P10636 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
SCHEMBL18851403 0.89 NPC1 (0.60) NPC1ALDH1A1TSHRKDM4ETDP1
SCHEMBL1187473 0.84 ALDH1A1 (0.65) ALDH1A1TSHRKDM4ETDP1GAA
SCHEMBL20135971 0.84 ALDH1A1 (0.65) NPC1ALDH1A1TSHRKDM4ETDP1
SCHEMBL7401545 0.82 ALDH1A1 (0.69) NPC1ALDH1A1TSHRKDM4ETDP1
SCHEMBL31469616 0.80 ALDH1A1 (0.72) NPC1ALDH1A1TSHRKDM4ETDP1
SCHEMBL27753912 0.80 ALDH1A1 (0.72) NPC1ALDH1A1TSHRKDM4ETDP1
SCHEMBL1570740 0.80 ALDH1A1 (0.72) NPC1ALDH1A1TSHRKDM4ETDP1
SCHEMBL11044996 0.79 ALDH1A1 (0.59) ALDH1A1TSHRKDM4ETDP1GAA
SCHEMBL12835408 0.79 ALDH1A1 (0.59) NPC1ALDH1A1TSHRKDM4ETDP1
SCHEMBL24389243 0.79 ALDH1A1 (0.57) NPC1ALDH1A1TSHRKDM4ETDP1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329466-A Certain nor-tropan-8-amine-3-aryl or heteroaryl derivatives DELALANDE S.A. (FR) 1982-05-11 US claimed
JP-52073864-A None JP disclosed
JP-52083737-A None JP disclosed
JP-52083762-A None JP disclosed
US-12583822-B2 Benzylamine derivative, preparation method therefor and use thereof ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2026-03-24 US disclosed
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 EP disclosed
CN-114075123-B Benzylamine derivative and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2023-06-06 CN disclosed
CN-114075123-A Benzylamine derivative and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2022-02-22 CN disclosed
WO-2022033303-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-02-17 WO disclosed
EP-2419409-A1 PROCESS FOR THE PREPARATION OF A BIPHENYL-2-YLCARBAMIC ACID ESTER Glaxo Group Limited (GB) 2012-02-22 EP disclosed
WO-2010119064-A1 PROCESS FOR THE PREPARATION OF A BIPHENYL-2-YLCARBAMIC ACID ESTER GLAXO GROUP LIMITED (GB) 2010-10-21 WO disclosed
WO-2010119064-A1 PROCESS FOR THE PREPARATION OF A BIPHENYL-2-YLCARBAMIC ACID ESTER GLAXO GROUP LIMITED (GB) 2010-10-21 WO disclosed
EP-0794184-B1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2001-05-30 EP disclosed
US-5932568-A GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-08-03 US disclosed
EP-0794184-A1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-09-10 EP disclosed
EP-0353372-B1 Antischizophrenic-S-N-(1-azabicyclo[2.2.2.]oct-3-yl) benzamides and thiobenzamides SYNTHELABO (FR) 1993-02-03 EP disclosed
JP-S5283737-A NOVEL CARBOXYLIC ACID AMIDE DERIVATIVES AND PREPARATION THEREOF YAMANOUCHI PHARMACEUT CO LTD 1977-07-12 JP disclosed
JP-S5283762-A NOVEL CARBOXYLIC ACID AMIDE YAMANOUCHI PHARMACEUT CO LTD 1977-07-12 JP disclosed
JP-S5273864-A PREPARATION OF NOVEL CARBOXYLIC ACID AMIDE DERIVATIVE YAMANOUCHI PHARMACEUT CO LTD 1977-06-21 JP 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-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 NPC1 1827/4885ALDH1A1 110/4885TSHR 3296/4885
US-12583822-B2 Benzylamine derivative, preparation method therefor and use thereof CD274, PDCD1, PDCD1LG2 NPC1 805/4885ALDH1A1 612/4885TSHR 162/4885

“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.