SCHEMBL20524600

SCHEMBL20524600

COc1ccc(C(=O)C2CCNCC2)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 13/20 0.68
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 1/20 0.46
HSD11B1 P28845 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR4 Q13639 1/20 0.44

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
SCHEMBL30323172 1.00 CPS1 (0.68) CPS1ALDH1A1SMN1; SMN2EPHX2HSD11B1
Hydrochloric Acid SCHEMBL30323144 0.99 CPS1 (0.67) CPS1ALDH1A1SMN1; SMN2EPHX2HSD11B1
SCHEMBL30513999 0.91 CPS1 (0.75) CPS1HSD11B1
SCHEMBL30514010 0.87 CPS1 (0.70) CPS1MEN1KMT2A
SCHEMBL1942608 0.87 CPS1 (0.70) CPS1MEN1KMT2A
SCHEMBL10637499 0.84 NPC1 (0.57) CPS1ALDH1A1SMN1; SMN2EPHX2MEN1
SCHEMBL6987660 0.84 KDM2B (0.58) CPS1ALDH1A1SMN1; SMN2EPHX2HSD11B1
Hydrochloric Acid SCHEMBL10640839 0.83 NPC1 (0.55) CPS1ALDH1A1SMN1; SMN2EPHX2MEN1
Hydrochloric Acid SCHEMBL11619068 0.83 KDM2B (0.57) CPS1ALDH1A1SMN1; SMN2EPHX2HSD11B1
SCHEMBL10963872 0.81 CPS1 (0.81) CPS1ALDH1A1SMN1; SMN2HSD11B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 EP disclosed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 US disclosed
EP-3600312-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
WO-2018183145-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 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 (1 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-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 CPS1 1821/4885ALDH1A1 2339/4885SMN1; SMN2 2346/4885

“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.