SCHEMBL22711992

SCHEMBL22711992

O=C(c1ccc(Cl)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
LMNA P02545 4/20 0.66
ENPP2 Q13822 3/20 0.65
MTOR P42345 1/20 0.63
RAB9A P51151 1/20 0.63
SIRT2 Q8IXJ6 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
ALDH1A1 P00352 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
GAA P10253 2/20 0.63
HSP90AA1 P07900 1/20 0.63
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GPR174 Q9BXC1 1/20 0.56
MAPK1 P28482 1/20 0.55
GRM5 P41594 1/20 0.55
MGLL Q99685 1/20 0.55
USP2 O75604 1/20 0.55
GLA P06280 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
SCHEMBL30323020 1.00 MAPT (0.66) MAPTLMNAENPP2MTORRAB9A
SCHEMBL23928497 0.81 LMNA (0.78) MAPTLMNAMTORRAB9ASIRT2
SCHEMBL4526192 0.79 GRM5 (0.67) MAPTLMNAENPP2SMN1; SMN2ALDH1A1
SCHEMBL20524582 0.79 ALDH1A1 (0.65) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL1274938 0.78 HTT (0.73) MAPTLMNAENPP2SMN1; SMN2ALDH1A1
SCHEMBL12890005 0.78 GRM5 (0.62) MAPTLMNAENPP2SMN1; SMN2ALDH1A1
SCHEMBL29943849 0.78 MTOR (1.00) MAPTLMNAMTORRAB9ASIRT2
SCHEMBL6267516 0.78 MTOR (1.00) MAPTLMNAMTORRAB9ASIRT2
SCHEMBL4509578 0.77 AKT1 (0.62) MAPTLMNAENPP2SMN1; SMN2L3MBTL1
SCHEMBL615357 0.77 AVPR1A (0.76) MAPTLMNAENPP2SMN1; SMN2ALDH1A1

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-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-08-30 US disclosed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 US disclosed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 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 (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-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 GPR6, GPR3, GPR68 MAPT 4732/4885LMNA 2506/4885ENPP2 369/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 MAPT 4732/4885LMNA 2506/4885ENPP2 369/4885

“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.