SCHEMBL29316963

SCHEMBL29316963

CN(c1cc(C(F)(F)F)nc(C(F)(F)F)c1)[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ SLC6A12 P48065 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CRHR1 P34998 7/20 0.42
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ SELP P16109 1/20 0.40
▸ TYRO3 Q06418 1/20 0.40

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
SCHEMBL29316797 0.86 MCHR1 (0.51) NPC1RAB9A
SCHEMBL24632248 0.83 HPGD (0.52) HPGDSLC6A12NPC1RAB9ACRHR1
SCHEMBL29665876 0.83 HPGD (0.52) HPGDSLC6A12NPC1RAB9ACRHR1
SCHEMBL29316367 0.79 KDM4E (0.46) NPC1RAB9A
SCHEMBL29315597 0.79 HPGD (0.47) HPGDSLC6A12NPC1RAB9ACRHR1
SCHEMBL29316658 0.78 HDAC4 (0.44) NPC1RAB9A
SCHEMBL29316953 0.78 DRD2 (0.46) NPC1
SCHEMBL29077678 0.77 HPGD (0.71) HPGDSLC6A12NPC1RAB9ACNR1
SCHEMBL29316878 0.77 AHR (0.47) NPC1RAB9AALDH1A1
SCHEMBL29316412 0.76 EPHX2 (0.42) NPC1RAB9ACRHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2024-07-18 — — 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 (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-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 HPGD 1537/4885SLC6A12 2664/4885NPC1 2243/4885

“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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