SCHEMBL21162015

SCHEMBL21162015

COC(=O)NC1(c2ccc(N)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
F10 P00742 1/20 0.40
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR4A1 P22736 1/20 0.34
GAA P10253 2/20 0.34
PDE2A O00408 4/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.33
TACR3 P29371 1/20 0.33

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
SCHEMBL15524001 0.93 POLB (0.41) POLBF10OPRM1OPRL1ALDH1A1
SCHEMBL2814706 0.93 POLB (0.44) POLBF10OPRM1OPRL1ALDH1A1
SCHEMBL4087871 0.84 AKT1 (0.43) POLBPDE2A
SCHEMBL14672673 0.83 GAA (0.41) POLBF10OPRM1OPRL1ALDH1A1
SCHEMBL27853653 0.82 OPRM1 (0.49) POLBOPRM1OPRL1ALDH1A1L3MBTL1
SCHEMBL21162019 0.82 POLB (0.47) POLBF10ALDH1A1L3MBTL1GAA
SCHEMBL20476086 0.80 ALDH1A1 (0.39) POLBALDH1A1L3MBTL1PDE2AMAPT
SCHEMBL23778505 0.79 HIF1A (0.39) POLBF10OPRM1OPRL1ALDH1A1
SCHEMBL12134686 0.79 AKT1 (0.41) POLBALDH1A1L3MBTL1PDE2A
SCHEMBL21162018 0.78 MAPT (0.44) POLBALDH1A1L3MBTL1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 EP disclosed
CN-110300754-A Pyrrolo [1,2-b ] pyridazine derivatives 吉利德科学公司 2019-10-01 CN disclosed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 POLB 171/4885F10 4000/4885OPRM1 708/4885

“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.