SCHEMBL240200

SCHEMBL240200

CC(=O)C1(c2ccccc2)CC[N]CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.48
OPRD1 P41143 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HDAC4 P56524 3/20 0.44
HSD11B1 P28845 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRL1 P41146 1/20 0.42
ALOX15 P16050 1/20 0.42
P2RX7 Q99572 1/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL890180 0.86 AKR1C1 (0.57) AKR1C1OPRD1CA12CA1CA2
SCHEMBL3291673 0.85 AKR1C1 (0.68) AKR1C1HDAC4HSD11B1ALOX15MEN1
SCHEMBL3737199 0.82 AKR1C1 (0.70) AKR1C1OPRD1CA12CA1CA2
SCHEMBL12928712 0.82 AKR1C1 (0.64) AKR1C1OPRD1CA12CA1CA2
SCHEMBL7864618 0.81 AKR1C1 (0.48) AKR1C1OPRD1HDAC4HSD11B1OPRM1
SCHEMBL1838291 0.81 AKR1C1 (0.68) AKR1C1HDAC4HSD11B1P2RX7APOBEC3A
SCHEMBL3129351 0.81 SLC18A3 (0.52) AKR1C1OPRD1HDAC4OPRM1APOBEC3A
SCHEMBL11627952 0.79 HDAC4 (0.72) AKR1C1HDAC4LMNANPSR1ALDH1A1
SCHEMBL2200070 0.78 AKR1C1 (0.42) AKR1C1OPRD1HDAC4OPRM1APOBEC3A
SCHEMBL24780844 0.78 ALDH1A1 (0.62) AKR1C1OPRD1LMNANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641758-B1 DIPHENYLPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2008-10-29 EP claimed
US-7345059-B2 Diphenylpyridine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-03-18 US claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
US-20060189664-A1 Diphenylpyridine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-08-24 US claimed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 US disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
EP-0863899-A1 PYRIDOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-09-16 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
WO-1997019946-A1 PYRIDOPYRIMIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-06-05 WO disclosed
EP-0731801-A1 SUBSTITUTED AMINOALKYLAMINOPYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-09-18 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed
WO-1995015324-A1 SUBSTITUTED AMINOALKYLAMINOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-06-08 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 (9 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-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 AKR1C1 844/4885OPRD1 4402/4885CA12 197/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS AKR1C1 4164/4885OPRD1 2161/4885CA12 4401/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS AKR1C1 4164/4885OPRD1 2161/4885CA12 4401/4885
US-20060189664-A1 Diphenylpyridine derivatives, preparation and therapeutic application thereof CNR1, HDAC10, AKR1B10 AKR1C1 26/4885OPRD1 19/4885CA12 1300/4885
US-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA AKR1C1 779/4885OPRD1 64/4885CA12 3982/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA AKR1C1 779/4885OPRD1 64/4885CA12 3982/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS AKR1C1 4164/4885OPRD1 2161/4885CA12 4401/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA AKR1C1 779/4885OPRD1 64/4885CA12 3982/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS AKR1C1 4164/4885OPRD1 2161/4885CA12 4401/4885

“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.