SCHEMBL10062591

SCHEMBL10062591

CN1CCCC2(CCCN2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRND Q07001 1/20 0.37
JAK3 P52333 1/20 0.33
USP2 O75604 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
ROCK1 Q13464 4/20 0.31
CDC42BPB Q9Y5S2 4/20 0.31
ROCK2 O75116 2/20 0.31
CDC42BPA Q5VT25 2/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL23865694 1.00 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL10062590 0.94 CDC42BPB (0.34) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL18968285 0.93 USP2 (0.33) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL25049539 0.93 USP2 (0.33) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL90414 0.91 CHRNB2 (0.41) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL26441355 0.91 CHRNB2 (0.41) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL15382218 0.85 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL12926362 0.84 SIGMAR1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL12958765 0.84 SIGMAR1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL1755486 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123999-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. (US) 2024-06-13 WO disclosed
WO-2024123991-A1 TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. (US) 2024-06-13 WO disclosed
EP-4289428-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Applied Pharmaceutical Science, Inc. (CN) 2023-12-13 EP disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
WO-2022261204-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-15 WO disclosed
US-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-09-20 US disclosed
EP-3885342-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2021-09-29 EP disclosed
WO-2021163254-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-19 WO disclosed
WO-2021158840-A1 MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-12 WO disclosed
WO-2021078021-A1 SMALL MOLECULAR COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 WO disclosed
WO-2020033490-A1 SUBSTITUTED THIENOPYRROLES AS PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-13 WO disclosed
WO-2019034890-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-02-21 WO disclosed
WO-2017100594-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
WO-2010141545-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 WO 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 (3 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-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R CHRNA1 573/4885CHRNG 1576/4885CHRNB1 504/4885
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 CHRNA1 4595/4885CHRNG 4729/4885CHRNB1 4634/4885
US-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer PDXK, CCNK, CDC42BPB CHRNA1 4182/4885CHRNG 4565/4885CHRNB1 4029/4885

“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.