SCHEMBL674403

SCHEMBL674403

CCCCCCOc1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.47
CYP19A1 P11511 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.44
LMNA P02545 3/20 0.43
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NAAA Q02083 1/20 0.40
NR5A1 Q13285 1/20 0.39
SOAT1 P35610 1/20 0.39

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
SCHEMBL9236416 1.00 CYP2D6 (0.47) CYP2D6CYP19A1CYP2C9CYP2C19CYP3A4
SCHEMBL897482 0.98 CYP2D6 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19CYP3A4
SCHEMBL4273388 0.92 CYP2D6 (0.54) CYP2D6CYP19A1CYP2C9CYP2C19CYP3A4
Heptane SCHEMBL9236410 0.86 KDM4E (0.45) CYP2D6CYP19A1CYP2C9CYP2C19CYP3A4
SCHEMBL30339345 0.86 CYP2D6 (0.43) CYP2D6CYP19A1CYP2C9CYP2C19CYP3A4
SCHEMBL4278696 0.86 CYP2D6 (0.43) CYP2D6CYP19A1CYP2C9CYP2C19CYP3A4
SCHEMBL6607608 0.81 LOX (0.42) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL31462005 0.79 NAAA (0.39) CYP2D6CYP19A1CYP2C9CYP2C19CYP3A4
SCHEMBL29415405 0.78 NAAA (0.41) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL18076195 0.78 NAAA (0.39) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185570-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AS VASOPRESSIN RECEPTOR V1 A ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2023-05-31 EP disclosed
US-9981959-B2 Thiazolyl and oxazolyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-29 US disclosed
US-20150190504-A1 WOUND HEALING KINETIC CONCEPTS, INC. 2015-07-09 US disclosed
US-8957076-B2 Wound healing SYSTAGENIX WOUND MANAGEMENT (US), INC. (US) 2015-02-17 US disclosed
US-8063052-B2 Wound healing SYSTAGENIX WOUND MANAGEMENT (US), INC. (US) 2011-11-22 US disclosed
US-20100099622-A1 WOUND HEALING SYSTAGENIX WOUND MANAGEMENT (US), INC. (US) 2010-04-22 US disclosed
US-20090170910-A1 WOUND HEALING KCI USA, INC. 2009-07-02 US disclosed
EP-1786409-A1 WOUND HEALING ETHICON, INC. (US) 2007-05-23 EP disclosed
WO-2006028836-A1 WOUND HEALING ETHICON, INC. (US) 2006-03-16 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-20100099622-A1 WOUND HEALING MAPK1, MAPK3, MAPK4 CYP2D6 3746/4885CYP19A1 4555/4885CYP2C9 4401/4885
US-20090170910-A1 WOUND HEALING MAPK1, MAPK3, MAPK4 CYP2D6 3746/4885CYP19A1 4555/4885CYP2C9 4401/4885
US-20150190504-A1 WOUND HEALING MAPK1, MAPK3, MAPK4 CYP2D6 3746/4885CYP19A1 4555/4885CYP2C9 4401/4885

“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.