SCHEMBL5163690

SCHEMBL5163690

COc1ccccc1C1=NCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44
TUBB2B Q9BVA1 3/20 0.44
TUBB1 Q9H4B7 3/20 0.44

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
SCHEMBL31241506 1.00 TAAR1 (0.46) TAAR1SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL29420719 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ADRA2AADRA2BADRA2CTUBB4A
SCHEMBL218213 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ADRA2AADRA2BADRA2CTUBB4A
SCHEMBL27762054 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL381604 0.79 SMN1; SMN2 (0.49) SMN1; SMN2ADRA2AADRA2BADRA2CTUBB4A
SCHEMBL11082623 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL1842317 0.77 SMN1; SMN2 (0.48) TAAR1SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL8151194 0.76 ADRA2A (0.43) SMN1; SMN2ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL20222282 0.76 TAAR1 (0.47) TAAR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27820210 0.75 SMN1; SMN2 (0.43) TAAR1SMN1; SMN2ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024159724-A1 O-BIPHENYL OXAZOLINE COMPOUND AND SYNTHESIS METHOD THEREFOR 科莱博(江苏)科技股份有限公司 2024-08-08 WO disclosed
CN-101255209-A Diene polymer and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-09-03 CN disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN disclosed
CN-1231456-C Process for preparing optically active cyclopropyl carboxylic acid derivative SUMITOMO CHEMICAL CO (JP) 2005-12-14 CN disclosed
US-6916933-B2 4-pyridinyl-n-acyl-l-phenylalanines HOFFMAN-LA ROCHE INC. (US) 2005-07-12 US disclosed
EP-1244625-B1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
EP-1154993-B1 THIOAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines KAPLAN GERALD LEWIS (US) 2004-07-01 US disclosed
EP-1005445-B1 N-ALKANOYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-26 EP disclosed
EP-0612317-A1 SUBSTITUTED HETEROCYCLES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-31 EP disclosed
WO-1994002467-A1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY INSTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-02-03 WO disclosed
US-5256781-A Anticholesterol, antilipemic, hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 US disclosed
US-5236934-A Angiotensin inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-17 US disclosed
US-5236925-A Hypotensive agents, treatment of congestive heart failure AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-17 US disclosed
WO-1993008170-A1 SUBSTITUTED HETEROCYCLES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO disclosed
US-5187168-A Hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-16 US disclosed
EP-0124476-B1 CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1988-06-22 EP disclosed
US-4559349-A TREATMENT OF PHYCHOSIS CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0124476-A1 Carboxamides, process for their preparation and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1984-11-07 EP 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 (1 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-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines VCAM1, ICAM1, SELPLG TAAR1 1874/4885SMN1; SMN2 2206/4885ADRA2A 629/4885

“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.