SCHEMBL10062367

SCHEMBL10062367

COOCc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
MAOB P27338 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CYP2A13 Q16696 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
CHRM2 P08172 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KMT2A Q03164 2/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 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
SCHEMBL2712926 0.88 TAAR1 (0.50) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL5431489 0.84 TAAR1 (0.46) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL256804 0.81 TAAR1 (0.48) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL13465565 0.79 GABRA1 (0.39) TAAR1HTR1AADRA1DADRA1AADRA1B
Lithium SCHEMBL18580003 0.79 TAAR1 (0.46) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL18580002 0.79 TAAR1 (0.46) TAAR1MAOBADRA2AADRA2BADRA2C
Fluoride SCHEMBL28760317 0.79 TAAR1 (0.46) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL4315585 0.78 TAAR1 (0.50) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL1568868 0.77 TAAR1 (0.45) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL11987565 0.76 IDO1 (0.64) TAAR1ACHECHRM2IDO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106608840-B A method of preparing imine compound 中国科学院大连化学物理研究所 2019-01-08 CN disclosed
US-8309733-B2 Imino derivatives, methods for producing the same and insecticides containing the same Meji Seika Pharma Co., Ltd. (JP) 2012-11-13 US disclosed
EP-2503393-A1 Method for preparation of lithographic printing plate Fujifilm Corporation (JP) 2012-09-26 EP disclosed
US-20120165559-A1 Compounds Having a Physiological Effect V. MANE FILS (FR) 2012-06-28 US disclosed
US-20110172433-A1 NOVEL IMINO DERIVATIVES, METHODS FOR PRODUCING THE SAME AND INSECTICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA, LTD. (JP) 2011-07-14 US disclosed
WO-2010122239-A1 COMPOUNDS HAVING A PHYSIOLOGICAL EFFECT V. MANE FILS (FR) 2010-10-28 WO disclosed
US-7642339-B2 Hepatitis C; 1-benzyloxycarbonylamino-2-vinyl-cyclopropyl)-phenyl-phosphinic acid ethyl ester GILEAD SCIENCES, INC. (US) 2010-01-05 US 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-20110172433-A1 NOVEL IMINO DERIVATIVES, METHODS FOR PRODUCING THE SAME AND INSECTICIDES CONTAINING THE SAME CNOT9, CBR1, CBR3 TAAR1 226/4885MAOB 3098/4885ADRA2A 1694/4885
US-20120165559-A1 Compounds Having a Physiological Effect NPPA, CYP11B2, SHBG TAAR1 1227/4885MAOB 365/4885ADRA2A 150/4885

“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.