SCHEMBL6621733

SCHEMBL6621733

O=C(O)CN1CCC2(CCNCC2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.33
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 8/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6620481 0.86 AKR1B1 (0.33) ACETSHR
SCHEMBL6621810 0.75 SIGMAR1 (0.52) POLBCYP2D6CYP2C9CYP2C19KMT2A
Hydrochloric Acid SCHEMBL3492689 0.74 TSHR (0.38) KMT2ATSHR
SCHEMBL5072452 0.74 HTR2A (0.40) POLBCYP2D6TSHRLMNA
SCHEMBL4461636 0.72 GRM2 (0.36) HSD11B1
SCHEMBL4463284 0.71 ROCK2 (0.36) HSD11B1
SCHEMBL6621822 0.71 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL6618391 0.70 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL12184834 0.70 NPC1 (0.47) POLBKMT2AHSD11B1LMNA
SCHEMBL30623589 0.69 GRM2 (0.30) KMT2A

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
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-6528534-B2 Useful as glycoprotein IIb/IIIa antagonists for prophylaxis thrombosis, therapy of atheroschlerosis, arterioschlerosis, acute myocardial infarction, chronic stable angina, unstable angina, transient ischemic attacks and strokes MILLENNIUM PHARMACEUTICALS, INC. 2003-03-04 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 ACE 608/4885POLB 4043/4885CYP2D6 3270/4885
US-20020013325-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, SELP ACE 608/4885POLB 4043/4885CYP2D6 3270/4885

“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.