SCHEMBL4467879

SCHEMBL4467879

Clc1ccc(C2CNCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.46
SLC6A3 Q01959 3/20 0.42
SLC6A2 P23975 2/20 0.42
CHRNA7 P36544 1/20 0.40
SLC6A4 P31645 1/20 0.38
PRCP P42785 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1069753 0.84 SLC6A3 (0.48) HTR3ASLC6A3SLC6A2CHRNA7SLC6A4
SCHEMBL20054226 0.83 CTSL (0.30)
SCHEMBL263978 0.82 HTR3A (0.53) HTR3ASLC6A3SLC6A2CHRNA7SLC6A4
SCHEMBL1673686 0.82 HTR3A (0.53) HTR3ASLC6A3SLC6A2CHRNA7SLC6A4
Hydrochloric Acid SCHEMBL1673491 0.80 HTR3A (0.52) HTR3ASLC6A3SLC6A2CHRNA7SLC6A4
Hydrochloric Acid SCHEMBL1673492 0.80 HTR3A (0.52) HTR3ASLC6A3SLC6A2CHRNA7SLC6A4
Hydrochloric Acid SCHEMBL2031988 0.80 HTR3A (0.52) HTR3ASLC6A3SLC6A2CHRNA7SLC6A4
SCHEMBL11502447 0.79 TSHR (0.33) SLC6A3SLC6A2
SCHEMBL27587922 0.79 CYP19A1 (0.35) MEN1KMT2A
SCHEMBL27971317 0.79 ESR2 (0.41) HTR3AHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105358132-A Abuse resistant capsules RP SCHERER TECHNOLOGIES LLC 2016-02-24 CN claimed
US-20180098970-A1 USE OF ISOINDOLES FOR THE TREATMENT OF NEUROBEHAVIORAL DISORDERS AFECTA PHARMACEUTICALS, INC. (US) 2018-04-12 US disclosed
EP-2307011-B1 USE OF ISOINDOLES FOR THE TREATMENT OF NEUROBEHAVIORAL DISORDERS AFECTA PHARMACEUTICALS INC (US) 2016-11-30 EP disclosed
CN-105963676-A Agonists of guanylate cyclase useful for the treatment of hypercholesterolemia, atherosclerosis, coronary heart disease, gallstone, obesity and other cardiovascular diseases 药物协和股份有限公司 2016-09-28 CN disclosed
CN-102858361-B Agonists of guanylate cyclase for the treatment of hypercholesterolemia, atherosclerosis, coronary heart disease, gallstones, obesity and other cardiovascular diseases 药物协和股份有限公司 2016-08-03 CN disclosed
CN-105682649-A Compositions and methods for reducing overdose 艾萨·欧蒂迪 2016-06-15 CN disclosed
CN-105358132-A Abuse resistant capsules RP SCHERER TECHNOLOGIES LLC 2016-02-24 CN disclosed
CN-104968333-A Self-regulated release of active pharmaceutical ingredients ACURA PHARMACEUTICALS INC 2015-10-07 CN disclosed
CN-104013620-A Mazindol combination in treatment of attention deficit/hyperactivity ASSIST PUBL HOPITAUX DE PARIS 2014-09-03 CN disclosed
CN-102292826-A Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound 2011-12-21 CN disclosed
WO-2009155139-A1 USE OF ISOINDOLES FOR THE TREATMENT OF NEUROBEHAVIORAL DISORDERS AFECTA PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
CN-101420953-A Combination of mazindols in the treatment of attention deficit/hyperactivity disorder ASSIST PUBL HOPITAUX DE PARIS (FR) 2009-04-29 CN disclosed
CN-101272788-A Melanocortin receptor-specific piperazine compounds with diamine groups PALATIN TECHNOLOGIES INC (US) 2008-09-24 CN disclosed
CN-101272789-A Melanocortin receptor-specific piperazine and ketone-piperazine compounds PALATIN TECHNOLOGIES INC (US) 2008-09-24 CN disclosed
CN-1863513-A Abuse-proffed dosage form GRUENENTHAL GMBH (DE) 2006-11-15 CN disclosed
CN-1863514-A Abuse-proffed dosage form GRUENENTHAL GMBH (DE) 2006-11-15 CN disclosed
CN-1816337-A Naphthalene-containing melanocortin receptor-specific small molecule PALATIN TECHNOLOGIES INC (US) 2006-08-09 CN disclosed
CN-1179418-A Novel cyloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 1998-04-22 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 (1 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-20180098970-A1 USE OF ISOINDOLES FOR THE TREATMENT OF NEUROBEHAVIORAL DISORDERS INMT, PNMT, SLC6A2 HTR3A 41/4885SLC6A3 6/4885SLC6A2 3/4885

“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.