SCHEMBL4881754

SCHEMBL4881754

COc1cncc(C2CCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.59
CHRNB2 P17787 6/20 0.48
CHRNA4 P43681 6/20 0.48
CHRNB4 P30926 4/20 0.47
CHRNA3 P32297 4/20 0.47
TGFBR1 P36897 1/20 0.46
ACVR1 Q04771 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 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
Hydrochloric Acid SCHEMBL21381781 0.98 HTR2C (0.60) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2078445 0.86 HTR2C (0.46) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25402303 0.84 SLC18A3 (0.52) HTR2CTGFBR1ACVR1
SCHEMBL2081767 0.81 SLC6A2 (0.43) HTR2CCHRNB2CHRNA4IDO1
SCHEMBL5584971 0.80 HTR2C (0.69) HTR2CTGFBR1ACVR1MEN1KMT2A
SCHEMBL22048048 0.79 IDO1 (0.43) HTR2CIDO1
SCHEMBL15006444 0.77 HTR2C (0.56) HTR2CTGFBR1ACVR1
SCHEMBL2081433 0.77 CHRNB2 (0.45) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3463122 0.77 CHRNB2 (0.37) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19023366 0.77 ACVR1B (0.50) CHRNB2CHRNA4CHRNB4CHRNA3TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 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 (4 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 HTR2C 855/4885CHRNB2 4471/4885CHRNA4 3990/4885
US-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 HTR2C 235/4885CHRNB2 1365/4885CHRNA4 727/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 HTR2C 235/4885CHRNB2 1365/4885CHRNA4 727/4885
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 HTR2C 1318/4885CHRNB2 2977/4885CHRNA4 1999/4885

“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.