SCHEMBL23887668

SCHEMBL23887668

O=C(O)N1CC/C(=C\c2ccc(Br)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 6/20 0.43
▸ SRD5A1 P18405 1/20 0.40
▸ MCHR1 Q99705 3/20 0.40
▸ GPR183 P32249 4/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL14720788 0.90 SRD5A2 (0.48) SRD5A2SRD5A1MCHR1GPR183HPGD
SCHEMBL23887638 0.84 SRD5A2 (0.43) SRD5A2SRD5A1
SCHEMBL23906274 0.79 ESR2 (0.47) NPC1RAB9A
SCHEMBL20305039 0.79 ALDH1A1 (0.46) SRD5A2GPR183NPC1RAB9AHPGD
SCHEMBL6082644 0.76 ALDH1A1 (0.46) SRD5A2NPC1RAB9A
SCHEMBL6082641 0.76 ALDH1A1 (0.46) SRD5A2NPC1RAB9A
SCHEMBL25268554 0.76 SRD5A2 (0.44) SRD5A2SRD5A1
SCHEMBL17750085 0.74 LSS (0.51) SRD5A2SRD5A1NPC1RAB9A
SCHEMBL19994676 0.74 SRD5A2 (0.48) SRD5A2SRD5A1NPC1RAB9A
SCHEMBL14720706 0.74 SRD5A1 (0.51) SRD5A2SRD5A1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
EP-4126824-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE Theravance Biopharma R&D IP, LLC (US) 2023-02-08 — — EP disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 — — 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 (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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 SRD5A2 1826/4885SRD5A1 1492/4885MCHR1 3557/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 SRD5A2 1826/4885SRD5A1 1492/4885MCHR1 3557/4885

“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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