SCHEMBL10079150

SCHEMBL10079150

CN1CCC(c2cccs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD1 P21728 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
BRD4 O60885 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL497608 0.80
SCHEMBL9305345 0.79 CHRM2 (0.44) CHRM2CHRM1OPRM1KCNH2MAPT
SCHEMBL14163064 0.79 HTT (0.42) SLC6A4CHRM2CHRM1MAPTSMN1; SMN2
SCHEMBL27854103 0.79 HRH3 (0.42) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
Methylamine SCHEMBL28610020 0.79 MAPT (0.46) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11286601 0.78
Ammonia Solution, Strong SCHEMBL27835981 0.78 HRH3 (0.41) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL31682629 0.77 MAPT (0.42) CHRM2CHRM1MAPTSMN1; SMN2CHRM4
Dimethylamine SCHEMBL28162388 0.77 MAPT (0.44) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
SCHEMBL14590485 0.77 BRD4 (0.71) MAPTSMN1; SMN2BRD4KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP 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-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-8148404-B2 Modulators of CB1 receptors 7TM PHARMA A/S (DK) 2012-04-03 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
US-20100144701-A1 Modulators of CB1 Receptors 7TM PHARMA A/S (DK) 2010-06-10 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 (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-20100144701-A1 Modulators of CB1 Receptors CNR1, CNR2, GPR6 SLC6A2 1973/4885SLC6A4 1525/4885SLC6A3 658/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 SLC6A2 1573/4885SLC6A4 2664/4885SLC6A3 2850/4885

“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.