SCHEMBL508981

SCHEMBL508981

CN1CCNCC1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.38
RAD52 P43351 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.30

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
SCHEMBL2918468 0.90 HTR2C (0.34) HTR2CHTR6
Hydrochloric Acid SCHEMBL27851765 0.88 HTR2C (0.33) HTR2CHTR6
SCHEMBL19343110 0.86 HTR6 (0.37) HTR2CHTR6ALDH1A1L3MBTL1L3MBTL3
SCHEMBL10053933 0.86 HTR2C (0.45) HTR2CHTR6RAD52ALDH1A1L3MBTL1
SCHEMBL11968900 0.86 GNAI3 (0.36) HTR2CHTR6L3MBTL3
SCHEMBL12356939 0.84 HTR2C (0.46) HTR2CHTR6RAD52ALDH1A1L3MBTL1
SCHEMBL10260365 0.84 HTR2C (0.35) HTR2CHTR6RAD52L3MBTL3
SCHEMBL20384029 0.84 L3MBTL3 (0.40) HTR2CL3MBTL3
SCHEMBL2227674 0.81 CHRNB2 (0.32) HTR2C
SCHEMBL24672102 0.79 GNAI3 (0.37) RAD52L3MBTL3

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
CN-108440446-B Benzothiazine-4-ketone compound containing oximino fragment and preparation method thereof 中国医学科学院医药生物技术研究所 2020-05-15 CN disclosed
CN-107899539-A There is magnetic montmorillonite being modified based on sodium of adsorption function and preparation method thereof to caesium 北京源清益壤环保科技有限公司 2018-04-13 CN disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
CN-1950351-B 3- or 4-monosubstituted phenol and thiophenol derivatives useful as h3 ligands WARNER LAMBERT CO 2012-01-18 CN disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 US disclosed
CN-1950351-A 3- or 4-monosubstituted phenol and thiophenol derivatives useful as h3 ligands WARNER LAMBERT CO (US) 2007-04-18 CN 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR HTR2C 2654/4885HTR6 3667/4885RAD52 4415/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 HTR2C 4196/4885HTR6 728/4885RAD52 4700/4885

“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.