SCHEMBL4436301

SCHEMBL4436301

CNC(=O)C1(CN)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 2/20 0.37
P2RX7 Q99572 1/20 0.36
MME P08473 3/20 0.36
MMP1 P03956 1/20 0.35
CETP P11597 3/20 0.34
LTA4H P09960 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL8217154 0.89
SCHEMBL483676 0.81 CETP (0.49) SMN1; SMN2CYP2C19CYP3A4P2RX7MME
SCHEMBL4125078 0.81 CYP2C19 (0.39) SMN1; SMN2ALDH1A1USP2LMNACYP1A2
SCHEMBL15001823 0.80 OPRL1 (0.33) ALDH1A1
SCHEMBL24503904 0.79 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1USP2LMNACYP1A2
SCHEMBL5691429 0.76 CETP (0.40) SMN1; SMN2ALDH1A1USP2LMNACYP1A2
SCHEMBL12893372 0.76 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1USP2LMNACYP1A2
SCHEMBL1294518 0.75 CYP4F2 (0.53) SMN1; SMN2ALDH1A1USP2LMNACYP1A2
SCHEMBL12527553 0.74 CETP (0.42) SMN1; SMN2CYP2C19CYP3A4P2RX7MME
SCHEMBL26665738 0.74 CYP4F2 (0.35) SMN1; SMN2CYP2C19CYP3A4P2RX7MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 US claimed
EP-2935211-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-09 EP claimed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 US claimed
EP-3402469-B1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) INST NAT SANTE RECH MED (FR) 2021-01-06 EP disclosed
US-10548980-B2 P2X7 receptor antagonists for restoring T-cell lymphopoiesis in subjects infected with human immunodeficiency virus (HIV) INSERM (Institut National de la Santé et de la Recherche Médicale (FR) 2020-02-04 US disclosed
US-20190022223-A1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) INSERM (INSTITUT NATIONAL DE LA SANTÉ ET LA SANTÉ ET DE LA RECHERCHE MÉDICALE) (FR) 2019-01-24 US disclosed
EP-3402469-A1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) Institut National de la Sante et de la Recherche Medicale (INSERM) (FR) 2018-11-21 EP disclosed
WO-2017121840-A1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-07-20 WO disclosed
CN-104854087-B Indole carboxamide derivatives as P2X receptor antagonists 埃科特莱茵药品有限公司 2017-03-22 CN disclosed
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 US disclosed
EP-2935211-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-09 EP disclosed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 US disclosed
EP-2935211-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-28 EP disclosed
WO-2014097140-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-26 WO disclosed
EP-2120846-A2 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS BASF SE (DE) 2009-11-25 EP disclosed
WO-2008107347-A2 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS BASF SE (CH) 2008-09-12 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 (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-10548980-B2 P2X7 receptor antagonists for restoring T-cell lymphopoiesis in subjects infected with human immunodeficiency virus (HIV) P2RX7, P2RX1, P2RX5 SMN1; SMN2 4035/4885ALDH1A1 2862/4885USP2 4445/4885
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 SMN1; SMN2 4518/4885ALDH1A1 2019/4885USP2 4164/4885
US-20190022223-A1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) P2RX7, P2RX1, P2RX5 SMN1; SMN2 4035/4885ALDH1A1 2862/4885USP2 4445/4885

“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.