SCHEMBL21083751

SCHEMBL21083751

CCC(=O)NC1(C(N)=O)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CTSB P07858 2/20 0.33
P2RX7 Q99572 1/20 0.33
CTSL P07711 1/20 0.33
OPRL1 P41146 4/20 0.32
POLB P06746 1/20 0.32
CTSS P25774 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FLT3 P36888 1/20 0.30
MAPK1 P28482 1/20 0.30
TACR2 P21452 1/20 0.30
TACR1 P25103 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
SCHEMBL30389190 0.98 SPHK1 (0.37) SPHK1KMT2AKDM4ECTSBP2RX7
SCHEMBL12589497 0.92 SPHK1 (0.44) SPHK1KMT2AKDM4EMEN1
SCHEMBL21083999 0.85 SPHK1 (0.46) SPHK1KMT2AKDM4ECTSBP2RX7
SCHEMBL18614582 0.83 SPHK1 (0.39) SPHK1KMT2AKDM4E
SCHEMBL20221443 0.83 SPHK1 (0.45) SPHK1KMT2AKDM4ECTSBCTSL
SCHEMBL1131711 0.82 SPHK1 (0.55) SPHK1KMT2AKDM4ECTSBCTSL
SCHEMBL8485391 0.82 CNR2 (0.39) CTSBCTSLCTSSALDH1A1LMNA
SCHEMBL4694040 0.79 ALDH1A1 (0.35) SPHK1KMT2AKDM4ECTSBP2RX7
SCHEMBL13613119 0.78 MAPT (0.50) SPHK1KMT2ACTSBCTSLPOLB
SCHEMBL2847319 0.77 KDM4E (0.41) KMT2AKDM4EP2RX7OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-11407733-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-09 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 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-11407733-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 SPHK1 626/4885KMT2A 3170/4885KDM4E 3718/4885
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 SPHK1 626/4885KMT2A 3170/4885KDM4E 3718/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 SPHK1 626/4885KMT2A 3170/4885KDM4E 3718/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 SPHK1 626/4885KMT2A 3170/4885KDM4E 3718/4885

“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.