SCHEMBL1088292

SCHEMBL1088292

c1cn(CC2CCNCC2)cn1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.68
TBXAS1 P24557 4/20 0.39
CYP19A1 P11511 8/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL14254668 0.89 CYP2B6 (0.59) CYP2B6TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL7664060 0.89 CYP2B6 (0.59) CYP2B6TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL14254664 0.89 CYP2B6 (0.59) CYP2B6TBXAS1CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL17048494 0.88 CYP2B6 (0.57) CYP2B6TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL3019994 0.86
SCHEMBL11051252 0.82 CYP2B6 (0.89) CYP2B6TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11047050 0.82 CYP2B6 (0.96) CYP2B6TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL8164980 0.82 CYP2B6 (0.46) CYP2B6TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL20076324 0.81 CYP2B6 (1.00) CYP2B6TBXAS1CYP19A1
SCHEMBL570574 0.81 CYP2B6 (1.00) CYP2B6TBXAS1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 EP disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
CN-101679440-A Pyrrolopyrimidine derivatives as jak3 inhibitors PALAU PHARMA SA 2010-03-24 CN disclosed
EP-2142550-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS Palau Pharma, S.A. (ES) 2010-01-13 EP disclosed
WO-2008119792-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S. A. (ES) 2008-10-09 WO disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
CN-101087794-A Pharmaceutical compounds PIRAMED LTD (GB) 2007-12-12 CN disclosed
US-6362188-B1 ANTICANCER AGENTS SCHERING CORPORATION 2002-03-26 US disclosed
US-4605744-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1986-08-12 US disclosed
US-4537969-A AZOLE-SUBSTITUTED SATURATED HETEROCYCLIC CARBOXALDEHYDE ACETALS;INTERMEDIATES FOR 6-AMIDINOPENICILLINS HOFFMANN-LA ROCHE INC. (US) 1985-08-27 US disclosed
EP-0148283-A1 Novel penicillanic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-07-17 EP disclosed
US-4431653-A ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE HOFFMANN-LA ROCHE INC. (US) 1984-02-14 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-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CYP2B6 678/4885TBXAS1 88/4885CYP19A1 113/4885
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 CYP2B6 1324/4885TBXAS1 521/4885CYP19A1 1206/4885
US-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 CYP2B6 3438/4885TBXAS1 2042/4885CYP19A1 3186/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 CYP2B6 681/4885TBXAS1 86/4885CYP19A1 115/4885

“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.