SCHEMBL22712288

SCHEMBL22712288

CC(=O)n1ncc2ccc(NC(=O)c3ccccn3)cc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 12/20 0.52
▸ KDR P35968 3/20 0.52
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ KCNK3 O14649 1/20 0.48
▸ KCNK9 Q9NPC2 1/20 0.48

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
SCHEMBL30323180 1.00 GRM4 (0.52) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL20524569 0.85 GRM4 (0.54) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL30323212 0.85 GRM4 (0.54) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL30904872 0.75 KDR (0.84) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL5381037 0.74 LMNA (0.50) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL16592903 0.72 NPC1 (0.69) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL7990375 0.71 KDR (0.84) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL12764167 0.71 GRM4 (0.72) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL20524671 0.71 NOTUM (0.56) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL30323171 0.71 NOTUM (0.56) GRM4KDRNPC1RAB9ASMN1; SMN2

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 5 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
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 — — CN 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 GRM4 136/4885KDR 1361/4885NPC1 1109/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 GRM4 136/4885KDR 1361/4885NPC1 1109/4885

“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.

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