SCHEMBL20140387

SCHEMBL20140387

C=CCCc1ccc2cccnc2n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.45
ALDH1A1 P00352 1/20 0.45
SUCNR1 Q9BXA5 13/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
OXGR1 Q96P68 2/20 0.38
DAGLA Q9Y4D2 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
SCHEMBL29797125 1.00 PDE10A (0.45) PDE10AALDH1A1SUCNR1KDM4EMEN1
SCHEMBL22223345 0.89 SUCNR1 (0.46) PDE10AALDH1A1SUCNR1OXGR1DAGLA
SCHEMBL167042 0.83 ALDH1A1 (0.47) PDE10AALDH1A1SUCNR1KDM4EMEN1
Hydrochloric Acid SCHEMBL29113051 0.81 ALDH1A1 (0.46) PDE10AALDH1A1SUCNR1KDM4EMEN1
SCHEMBL28337161 0.81 PDE10A (0.48) PDE10AALDH1A1SUCNR1KDM4EMEN1
SCHEMBL12895009 0.79 PDE10A (0.49) PDE10AALDH1A1SUCNR1KDM4EMEN1
SCHEMBL23083184 0.77 PDE10A (0.49) PDE10AALDH1A1SUCNR1KDM4EMEN1
SCHEMBL27705784 0.77 PDE10A (0.48) PDE10AALDH1A1SUCNR1KDM4EMEN1
SCHEMBL20156313 0.77 HRH1 (0.50) PDE10AALDH1A1SUCNR1KDM4EMEN1
SCHEMBL22223268 0.76 ALDH1A1 (0.49) PDE10AALDH1A1SUCNR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
EP-3538525-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (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-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 PDE10A 1547/4885ALDH1A1 491/4885SUCNR1 1751/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV PDE10A 2197/4885ALDH1A1 504/4885SUCNR1 1495/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 PDE10A 1919/4885ALDH1A1 545/4885SUCNR1 1527/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV PDE10A 1888/4885ALDH1A1 431/4885SUCNR1 1693/4885

“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.