SCHEMBL6623974

SCHEMBL6623974

O=C(O)CN1CCC2(CC1)CCN(Cc1ccccc1)CC2

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.68
CHRM2 P08172 7/20 0.67
CHRM3 P20309 3/20 0.67
ALDH1A1 P00352 4/20 0.62
CYP2C19 P33261 3/20 0.62
TSHR P16473 3/20 0.62
MEN1 O00255 1/20 0.62
CYP2C9 P11712 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62
CYP3A4 P08684 3/20 0.62
MAPK1 P28482 2/20 0.62
USP2 O75604 2/20 0.62
OPRL1 P41146 1/20 0.55

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
SCHEMBL21044023 0.88 ALDH1A1 (0.72) CYP2D6ALDH1A1CYP2C19MEN1CYP2C9
SCHEMBL2717435 0.88 ALDH1A1 (0.72) CYP2D6ALDH1A1CYP2C19MEN1CYP2C9
SCHEMBL8033956 0.88 ALDH1A1 (0.72) CYP2D6ALDH1A1CYP2C19MEN1CYP2C9
SCHEMBL16641754 0.88 ALDH1A1 (0.72) CYP2D6ALDH1A1CYP2C19MEN1CYP2C9
SCHEMBL10566682 0.86 ALDH1A1 (0.70) CYP2D6ALDH1A1CYP2C19MEN1CYP2C9
Hydrochloric Acid SCHEMBL6963387 0.86 ALDH1A1 (0.70) CYP2D6ALDH1A1CYP2C19MEN1CYP2C9
SCHEMBL15236204 0.84 ALDH1A1 (0.77) CYP2D6CHRM2CHRM3ALDH1A1CYP2C19
SCHEMBL16431003 0.84 CYP2D6 (0.78) CYP2D6CHRM2CHRM3ALDH1A1CYP2C19
SCHEMBL28777882 0.83 ALDH1A1 (0.66) CYP2D6ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL6621788 0.83 CYP2D6 (0.56) CYP2D6CHRM2CHRM3ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854869-B1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION LILLY CO ELI (US) 2004-08-25 EP disclosed
US-6693109-B2 SUCH AS ETHYL(3-(4-(AMINOIMINOMETHYL)PHENYL)-1-OXA-2,8-DIAZA-SPIRO(4.5)DEC-2-EN-8 -YL)ACETATE ELI LILLY AND COMPANY 2004-02-17 US disclosed
US-20030171373-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation FISHER MATTHEW J (US) 2003-09-11 US disclosed
US-20020013325-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation FISHER MATTHEW J (US) 2002-01-31 US disclosed
US-6291469-B1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation ELI LILLY AND COMPANY 2001-09-18 US disclosed
EP-0854869-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1998-07-29 EP disclosed
WO-1997011940-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1997-04-03 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 (2 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-20030171373-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, SELP CYP2D6 3270/4885CHRM2 4836/4885CHRM3 4690/4885
US-20020013325-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, SELP CYP2D6 3270/4885CHRM2 4836/4885CHRM3 4690/4885

“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.