SCHEMBL13085752

SCHEMBL13085752

CN1CCC2(CC1)COc1cccc(F)c12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 5/20 0.35
SIGMAR1 Q99720 3/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD2 P14416 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRNA7 P36544 1/20 0.33
OPRD1 P41143 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
SCHEMBL13085729 0.77 OPRD1 (0.39) S1PR5SIGMAR1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2800582 0.76 HTR2C (0.39) SIGMAR1HTR2CHTR2BDRD2OPRD1
SCHEMBL8073186 0.76 TNKS (0.45) S1PR5SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL13085623 0.74 S1PR5 (0.41) S1PR5SIGMAR1HTR2AHTR2CS1PR1
SCHEMBL8062832 0.71 AKR1B1 (0.48) SIGMAR1HTR2ADRD2
SCHEMBL6925117 0.71 LTA4H (0.36) SIGMAR1HTR2AHTR2CHTR2BCHRNA7
SCHEMBL14154504 0.70 SCD (0.42) S1PR5SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11093434 0.69 TNKS (0.49) SIGMAR1HTR2AHTR2CHTR2BMAPK1
SCHEMBL21536103 0.68 DRD2 (0.61) SIGMAR1HTR2AHTR2CDRD2
SCHEMBL6926693 0.66 KMT2A (0.48) SIGMAR1HTR2AHTR2CDRD2CHRNA7

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-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 S1PR5 3628/4885SIGMAR1 4738/4885HTR2A 4769/4885

“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.