SCHEMBL13085544

SCHEMBL13085544

CN1CCC(c2ccc(F)nc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.47
KDM1A O60341 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
LSS P48449 1/20 0.41
CCND3 P30281 3/20 0.40
CDK6 Q00534 3/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK2 P24941 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
SPR P35270 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
SCHEMBL30144812 0.83 KDM4E (0.42) KDM1AMAOAMAOB
SCHEMBL595630 0.83 KDM4E (0.42) KDM1AMAOAMAOB
SCHEMBL255093 0.81 QDPR (0.49) QDPRLSSCCND3CDK6CCNE2
SCHEMBL25356663 0.80 KDM4E (0.51)
SCHEMBL31536280 0.79 QDPR (0.47) QDPRLSS
SCHEMBL1392852 0.79 QDPR (0.47) QDPRLSSTNKS
SCHEMBL21037759 0.79 CHRNB2 (0.53) QDPRLSS
SCHEMBL24567826 0.79 QDPR (0.47) QDPRLSS
SCHEMBL23605613 0.79 QDPR (0.44) QDPRLSSCCND3CDK6CCNA2
SCHEMBL18721990 0.79 ESR2 (0.48) KDM1AMAOAMAOBSPR

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 QDPR 356/4885KDM1A 1362/4885MAOA 1296/4885

“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.