SCHEMBL7012776

SCHEMBL7012776

Brc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.58
OPRK1 P41145 2/20 0.58
OPRL1 P41146 2/20 0.58
HTR1F P30939 6/20 0.48
HTR1D P28221 4/20 0.47
HTR1B P28222 4/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
CHRM4 P08173 1/20 0.45
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL30908848 1.00 OPRM1 (0.58) OPRM1OPRK1OPRL1HTR1FHTR1D
SCHEMBL7008664 0.78 HTR1F (0.52) OPRM1OPRK1OPRL1HTR1FHTR1D
SCHEMBL9793444 0.78 OPRM1 (0.77) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL9032088 0.76 OPRM1 (0.75) OPRM1OPRK1OPRL1KMT2ACHRM4
SCHEMBL30909224 0.75 HTR1F (0.60) OPRM1OPRK1OPRL1HTR1FHTR1D
SCHEMBL7009425 0.75 HTR1F (0.65) OPRM1OPRK1OPRL1HTR1FHTR1D
SCHEMBL7012310 0.75 HTR1F (0.60) OPRM1OPRK1OPRL1HTR1FHTR1D
SCHEMBL14280723 0.74 OPRM1 (1.00) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL7532398 0.73 OPRM1 (0.77) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL8917214 0.72 OPRM1 (0.68) OPRM1OPRK1OPRL1HTR1DHTR1B

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
US-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ LP (CA) 2026-05-07 US disclosed
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed
EP-0916670-B1 Pyrrolo-(3,2-b) pyridines and their use as 5-HT1F agonists LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-0916670-A2 Pyrrolo-(3,2-b) pyridines and their use as 5-HT1F agonists ELI LILLY AND COMPANY (US) 1999-05-19 EP disclosed
US-5905084-A 5-SUBSTITUTED-3-(PIPERIDIN-4-YL)- AND -3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)PYRROLO(3,2-B)PYRIDINES; SIDE EFFECT REDUCTION; NERVOUS SYTEM AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 1999-05-18 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-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS HTR1F, HTR1A, HTR1D OPRM1 218/4885OPRK1 266/4885OPRL1 149/4885

“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.