SCHEMBL12371259

SCHEMBL12371259

CCCN1C(C)CCC1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.36
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
DRD2 P14416 1/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL12841670 1.00 HTR1A (0.36) HTR1AALDH1A1HRH3HRH2HRH1
SCHEMBL19074420 0.89 HRH3 (0.39) ALDH1A1HRH3HRH2HRH1MAOB
SCHEMBL1286680 0.89 HRH3 (0.39) ALDH1A1HRH3HRH2HRH1MAOB
SCHEMBL23828684 0.84 HRH3 (0.35) HRH3HRH2HRH1
SCHEMBL14115534 0.83 MGAM (0.40) HRH3HRH2HRH1MAOB
SCHEMBL23732066 0.83 HTR1A (0.32) HTR1ADRD2
SCHEMBL25876920 0.81 EBP (0.42) HRH3HRH2HRH1MAOB
SCHEMBL15363043 0.81 EBP (0.42) HRH3HRH2HRH1MAOB
SCHEMBL15363012 0.79 EBP (0.45)
SCHEMBL15363080 0.79 EBP (0.45)

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
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 US disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 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 (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-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 HTR1A 964/4885ALDH1A1 1173/4885HRH3 3467/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK HTR1A 2458/4885ALDH1A1 4309/4885HRH3 871/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 HTR1A 4320/4885ALDH1A1 3165/4885HRH3 2923/4885

“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.