SCHEMBL9469302

SCHEMBL9469302

O=C(NCc1ccccc1)C1CCCCN1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.71
HTR2B P41595 3/20 0.71
HPGD P15428 2/20 0.59
ALDH1A1 P00352 2/20 0.59
USP2 O75604 1/20 0.59
KDM4E B2RXH2 1/20 0.56
MC4R P32245 2/20 0.55
HDAC1 Q13547 2/20 0.54
CTSC P53634 2/20 0.53
EPHX1 P07099 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GID4 Q8IVV7 1/20 0.51
ALOX12 P18054 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL9469301 1.00 HTR2C (0.71) HTR2CHTR2BHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL3267987 0.99 HTR2C (0.70) HTR2CHTR2BHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL18337653 0.99 HTR2C (0.70) HTR2CHTR2BHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL18337654 0.99 HTR2C (0.70) HTR2CHTR2BHPGDALDH1A1USP2
SCHEMBL5154669 0.95 HTR2C (0.77) HTR2CHTR2BHPGDALDH1A1USP2
SCHEMBL1789145 0.95 HTR2C (0.77) HTR2CHTR2BHPGDALDH1A1USP2
SCHEMBL7874030 0.95 HTR2C (0.77) HTR2CHTR2BHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL7607289 0.94 HTR2C (0.75) HTR2CHTR2BHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL18337901 0.94 HTR2C (0.75) HTR2CHTR2BHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL4368425 0.94 HTR2C (0.75) HTR2CHTR2BHPGDALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 US disclosed
EP-3444031-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-02-20 EP disclosed
WO-2017177979-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE 中国科学院上海有机化学研究所 2017-10-19 WO disclosed
US-5189046-A Antiinflammatory agents, anticonvulsants NOVA PHARMACEUTICAL CORPORATION (US) 1993-02-23 US disclosed
WO-1992003415-A1 PROTEIN KINASE C MODULATORS NOVA PHARMACEUTICAL CORPORATION (US) 1992-03-05 WO 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-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 HTR2C 1937/4885HTR2B 3092/4885HPGD 744/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 HTR2C 1937/4885HTR2B 3092/4885HPGD 744/4885

“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.