SCHEMBL6919946

SCHEMBL6919946

NCC1=CCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.58
PNMT P11086 1/20 0.40
HTR7 P34969 1/20 0.38
HTR2A P28223 4/20 0.36
DPP4 P27487 2/20 0.34
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HRH1 P35367 2/20 0.32
RET P07949 1/20 0.32
TSHR P16473 1/20 0.32
HTR2C P28335 1/20 0.32
CES1 P23141 1/20 0.32

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 SCHEMBL10601259 0.98 HTR6 (0.56) HTR6PNMTHTR7HTR2ADPP4
Acetic Acid SCHEMBL27542286 0.88 HTR6 (0.47) HTR6PNMTHTR7MAOATSHR
SCHEMBL31547775 0.83 HTR6 (0.59) HTR6PNMTHTR7HTR2ACYP2A6
SCHEMBL3862943 0.83 HTR6 (0.59) HTR6PNMTHTR7HTR2ACYP2A6
SCHEMBL2338975 0.82 HTR6 (0.56) HTR6HTR7MAOAMAOBCES1
SCHEMBL7618202 0.82 HTR6 (0.67) HTR6HTR7HTR2ACYP2A6MAOA
SCHEMBL31121639 0.82 HTR6 (0.56) HTR6HTR7MAOAMAOBCES1
SCHEMBL6683873 0.80 HTR6 (0.51) HTR6PNMTHTR7HTR2AMAOA
SCHEMBL29446311 0.79 SIGMAR1 (0.46) HTR6PNMTHTR2ACYP2A6MAOA
SCHEMBL9379776 0.79 SIGMAR1 (0.46) HTR6PNMTHTR2ACYP2A6MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105654-A Curable resin mixture, curable resin composition, and cured product thereof 日本化药株式会社 2020-12-18 CN disclosed
WO-2020031935-A1 CURABLE RESIN MIXTURE, CURABLE RESIN COMPOSITION, AND CURED PRODUCT 日本化薬株式会社 2020-02-13 WO disclosed
US-8986938-B2 Microbial activity improvement agent, microbial activity improvement method, and biological waste treatment method SUMITOMO HEAVY INDUSTRIES, LTD. (JP) 2015-03-24 US disclosed
US-20130028843-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8309596-B2 Kallikrein 7 modulators NOVARTIS AG (CH) 2012-11-13 US disclosed
US-20120107914-A1 MICROBIAL ACTIVITY IMPROVEMENT AGENT, MICROBIAL ACTIVITY IMPROVEMENT METHOD, AND BIOLOGICAL WASTE TREATMENT METHOD SUMITOMO HEAVY INDUSTRIES, LTD. (JP) 2012-05-03 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 US disclosed
CN-1263745-C Aryl fused azapolycyclic compounds PFIZER PROD INC (US) 2006-07-12 CN disclosed
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 US disclosed
CN-1406227-A aryl fused azapolycyclic compounds PFIZER PROD INC (US) 2003-03-26 CN disclosed
US-4791103-A HYPOTENSIVE AGENTS, PSYCHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1988-12-13 US disclosed
EP-0179667-A2 N6-substituted adenosines WARNER-LAMBERT COMPANY (US) 1986-04-30 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-20130028843-A1 KALLIKREIN 7 MODULATORS KLK7, KLK5, KLKB1 HTR6 2237/4885PNMT 3728/4885HTR7 381/4885
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 HTR6 102/4885PNMT 1024/4885HTR7 95/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 HTR6 2237/4885PNMT 3728/4885HTR7 381/4885

“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.