SCHEMBL18192240

SCHEMBL18192240

COCCON(C(=O)O)C1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
XBP1 P17861 1/20 0.44
RAB9A P51151 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
PIN1 Q13526 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL2805550 0.85 RAB9A (0.49) HTTALDH1A1XBP1RAB9AMAOA
SCHEMBL193593 0.73 RAB9A (0.58) HTTALDH1A1XBP1RAB9AMAOA
SCHEMBL193594 0.73 RAB9A (0.58) HTTALDH1A1XBP1RAB9AMAOA
SCHEMBL9200502 0.71 ALDH1A1 (0.46) HTTALDH1A1XBP1RAB9AMAOA
SCHEMBL1665427 0.71 TRPM8 (0.49) HTTALDH1A1XBP1RAB9AMAOA
SCHEMBL9537537 0.71 PIN1 (0.51) HTTALDH1A1XBP1RAB9ATRPM8
SCHEMBL28300301 0.70 TRPM8 (0.51) HTTALDH1A1XBP1RAB9AMAOA
SCHEMBL28224648 0.70 TRPM8 (0.51) HTTALDH1A1XBP1RAB9AMAOA
SCHEMBL192338 0.70 RAB9A (0.48) HTTALDH1A1XBP1RAB9AMAOA
SCHEMBL22341305 0.70 ALDH1A1 (0.50) HTTALDH1A1XBP1RAB9AMAOA

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-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 US disclosed
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2019-07-16 US disclosed
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2016-12-08 US disclosed
EP-2920166-B1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC (US) 2016-11-02 EP 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 (4 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-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 HTT 1665/4885ALDH1A1 3388/4885XBP1 2612/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 HTT 1665/4885ALDH1A1 3388/4885XBP1 2612/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 HTT 1665/4885ALDH1A1 3388/4885XBP1 2612/4885
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 HTT 1665/4885ALDH1A1 3388/4885XBP1 2612/4885

“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.