SCHEMBL2801022

SCHEMBL2801022

Fc1ccc(C2CCNCC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.49
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
QDPR P09417 1/20 0.44
TLR9 Q9NR96 2/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43

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
Hydrochloric Acid SCHEMBL1001200 0.98 HTR2C (0.50) HTR2CSLC18A3SIGMAR1DDB1CRBN
SCHEMBL30144812 0.86 KDM4E (0.42)
SCHEMBL595630 0.86 KDM4E (0.42)
SCHEMBL25356663 0.82 KDM4E (0.51)
SCHEMBL20757503 0.81 CHRNB2 (0.42) DDB1CRBN
SCHEMBL30441944 0.81 CYP2D6 (0.44)
SCHEMBL24837865 0.80 SLC18A3 (0.48) HTR2CSLC18A3SIGMAR1DDB1CRBN
SCHEMBL11294357 0.78 SLC18A3 (0.47) HTR2CSLC18A3SIGMAR1DDB1CRBN
SCHEMBL25330905 0.78 CHRNB2 (0.49) SLC18A3SIGMAR1DDB1CRBN
SCHEMBL12975623 0.78 HTR2C (0.47) HTR2CSLC18A3SIGMAR1DDB1CRBN

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-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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 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
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP disclosed
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
WO-2010050456-A1 PIPERIDINE COMPOUND HAVING DI- OR TRI-ARYLMETHYL STRUCTURE 萬有製薬株式会社 (JP) 2010-05-06 WO disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 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 (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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 HTR2C 90/4885SLC18A3 603/4885SIGMAR1 143/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 HTR2C 4834/4885SLC18A3 4107/4885SIGMAR1 4738/4885
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR HTR2C 87/4885SLC18A3 885/4885SIGMAR1 72/4885

“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.