SCHEMBL1150677

SCHEMBL1150677

NC1CCc2cccc(Br)c21

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
ANPEP P15144 3/20 0.43

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
SCHEMBL15129431 1.00 ACHE (0.44) ACHEANPEP
SCHEMBL31186913 1.00 ACHE (0.44) ACHEANPEP
SCHEMBL15129284 1.00 ACHE (0.44) ACHEANPEP
Hydrochloric Acid SCHEMBL20598212 0.98 ACHE (0.47) ACHEANPEP
SCHEMBL21772217 0.89 PDE7A (0.41)
SCHEMBL31402653 0.78 P2RX7 (0.35)
SCHEMBL18540921 0.78 ACHE (0.45) ACHEANPEP
SCHEMBL21650388 0.78 ACHE (0.45) ACHEANPEP
SCHEMBL2463409 0.76 DRD2 (0.49) ACHEANPEP
SCHEMBL1150762 0.76 DRD2 (0.49) ACHEANPEP

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US claimed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US claimed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP claimed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO claimed
US-10807997-B2 Methods for making quinolinyldiamines EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-10-20 US disclosed
US-20200071344-A1 METHODS FOR MAKING QUINOLINYLDIAMINES EXXONMOBIL CHEMICAL PATENTS INC. 2020-03-05 US disclosed
US-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2020-02-04 US disclosed
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-04-25 US disclosed
EP-3164395-B1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
US-10208018-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2019-02-19 US disclosed
US-20170197940-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 US disclosed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP disclosed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US disclosed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP disclosed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO disclosed
US-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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 (9 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-20170197940-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE3A ACHE 171/4885ANPEP 1203/4885
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES PDE3A, PDE2A, PDE3B ACHE 16/4885ANPEP 1638/4885
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX3 ACHE 1362/4885ANPEP 1291/4885
US-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators GUCY1A2, GUCY1A1, PDE3A ACHE 171/4885ANPEP 1203/4885
US-10208018-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators GUCY1A2, GUCY1A1, PDE3A ACHE 171/4885ANPEP 1203/4885
US-20200071344-A1 METHODS FOR MAKING QUINOLINYLDIAMINES NNMT, PNMT, HNMT ACHE 162/4885ANPEP 3883/4885
US-10807997-B2 Methods for making quinolinyldiamines NNMT, PNMT, HNMT ACHE 162/4885ANPEP 3883/4885
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C ACHE 108/4885ANPEP 2355/4885
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE3A ACHE 171/4885ANPEP 1203/4885

“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.