SCHEMBL508995

SCHEMBL508995

COc1cc(F)cc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
EPAS1 Q99814 9/20 0.43
VEGFA P15692 1/20 0.41
NQO2 P16083 1/20 0.40

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
SCHEMBL30336282 1.00 GRM5 (0.47) GRM5ALDH1A1CHRNB2CHRNA4EPAS1
SCHEMBL202404 0.87 ALDH1A1 (0.61) GRM5ALDH1A1
SCHEMBL509576 0.84 ALDH1A1 (0.58) GRM5ALDH1A1
SCHEMBL168353 0.82 ALDH1A1 (0.69) ALDH1A1NQO2
SCHEMBL16960842 0.79 ALDH1A1 (0.40) GRM5ALDH1A1CHRNB2CHRNA4EPAS1
SCHEMBL16961090 0.79 ALDH1A1 (0.40) GRM5ALDH1A1CHRNB2CHRNA4NQO2
SCHEMBL27774310 0.79 CHRNB2 (0.41) GRM5ALDH1A1CHRNB2CHRNA4EPAS1
SCHEMBL24086878 0.79 EPAS1 (0.40) EPAS1VEGFA
SCHEMBL13570675 0.79 DHFR (0.43) EPAS1
SCHEMBL1584993 0.78 EPAS1 (0.40) EPAS1VEGFA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174616-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2024-05-30 US disclosed
EP-4326257-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS ChemoCentryx, Inc. (US) 2024-02-28 EP disclosed
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-29 US disclosed
CN-116322759-A Phospholipid compounds and uses thereof 吉利德科学公司 2023-06-23 CN disclosed
EP-4159738-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF Biopolar Hongye (Guangdong) Pharmaceutical Co. Ltd (CN) 2023-04-05 EP disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
US-20220348568-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS INC., CHEMOCENTRYX 2022-11-03 US disclosed
WO-2022225832-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS CHEMOCENTRYX, INC. (US) 2022-10-27 WO disclosed
EP-4059928-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-09-21 EP disclosed
CN-1649865-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2005-08-03 CN disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 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 (7 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-20220348568-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS CXCR1, CXCR5, CXCR6 GRM5 1977/4885ALDH1A1 622/4885CHRNB2 1733/4885
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885ALDH1A1 3466/4885CHRNB2 117/4885
US-20240174616-A1 HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC5 GRM5 597/4885ALDH1A1 922/4885CHRNB2 1279/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885ALDH1A1 3466/4885CHRNB2 117/4885
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF JAK3, JAK2, JAK1 GRM5 1687/4885ALDH1A1 4145/4885CHRNB2 4883/4885
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 GRM5 4595/4885ALDH1A1 860/4885CHRNB2 3980/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 GRM5 2894/4885ALDH1A1 385/4885CHRNB2 4779/4885

“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.