SCHEMBL1858287

SCHEMBL1858287

NC1CCc2c1cccc2C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
ACHE P22303 2/20 0.41
HTR2C P28335 3/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
GAA P10253 2/20 0.38
HTR2B P41595 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
FFAR1 O14842 3/20 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
SCHEMBL29656485 1.00 PNMT (0.50) PNMTCYP11B1CYP11B2ACHEHTR2C
SCHEMBL15335797 1.00 PNMT (0.50) PNMTCYP11B1CYP11B2ACHEHTR2C
Hydrochloric Acid SCHEMBL11526906 0.98 PNMT (0.49) PNMTCYP11B1CYP11B2ACHEHTR2C
Hydrochloric Acid SCHEMBL16535778 0.98 PNMT (0.49) PNMTCYP11B1CYP11B2ACHEHTR2C
SCHEMBL15335679 0.90 PNMT (0.47) PNMTCYP11B1CYP11B2HTR2CCHRNB2
SCHEMBL15335677 0.90 PNMT (0.47) PNMTCYP11B1CYP11B2HTR2CCHRNB2
SCHEMBL16729634 0.79 PNMT (0.42) PNMTHTR2CCHRNB2CHRNA4GAA
SCHEMBL15531953 0.79 CYP11B1 (0.44) PNMTCYP11B1CYP11B2HTR2CCHRNB2
SCHEMBL29878084 0.79 CYP11B1 (0.44) PNMTCYP11B1CYP11B2HTR2CCHRNB2
SCHEMBL29668889 0.79 CYP11B1 (0.44) PNMTCYP11B1CYP11B2HTR2CCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4132737-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1979-01-02 US claimed
CN-114671878-B Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业有限公司 2023-08-04 CN disclosed
CN-114671878-A Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业有限公司 2022-06-28 CN disclosed
CN-114539245-A Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-05-27 CN disclosed
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-13 US disclosed
US-9949977-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-8071762-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-12-06 US disclosed
EP-2017265-B1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2011-05-25 EP disclosed
EP-2017265-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor Abbott Laboratories (US) 2009-01-21 EP disclosed
US-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-11-20 US disclosed
EP-1658269-B1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-22 EP disclosed
US-7375126-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2008-05-20 US disclosed
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 WO disclosed
US-4132737-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1979-01-02 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 (5 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-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 PNMT 4276/4885CYP11B1 749/4885CYP11B2 1053/4885
US-10300062-B2 Bicyclically substituted uracils and the use thereof UNG, UMPS, TYMP PNMT 774/4885CYP11B1 529/4885CYP11B2 406/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PNMT 774/4885CYP11B1 529/4885CYP11B2 406/4885
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PNMT 774/4885CYP11B1 529/4885CYP11B2 406/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 PNMT 4243/4885CYP11B1 702/4885CYP11B2 1036/4885

“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.