SCHEMBL418557

SCHEMBL418557

O=Cc1ccccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.57
DRD2 P14416 7/20 0.57
DRD3 P35462 5/20 0.57
SIGMAR1 Q99720 1/20 0.56
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.53
HTR1A P08908 2/20 0.51
HTR7 P34969 1/20 0.50

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
SCHEMBL7601735 0.82 DRD4 (0.55) DRD4DRD2DRD3SIGMAR1MAPT
SCHEMBL7601734 0.82 DRD4 (0.55) DRD4DRD2DRD3SIGMAR1MAPT
SCHEMBL7601732 0.82 DRD4 (0.55) DRD4DRD2DRD3SIGMAR1MAPT
SCHEMBL30566640 0.81 HTR1A (0.57) DRD4DRD2MAPTALDH1A1HTR1A
SCHEMBL1738784 0.81 CHRNA7 (0.51) DRD2DRD3MAPTALDH1A1
SCHEMBL2649519 0.80 ALDH1A1 (0.58) DRD4DRD2DRD3SIGMAR1MAPT
SCHEMBL7426690 0.80 DRD4 (0.68) DRD4DRD2DRD3SIGMAR1MAPT
SCHEMBL8311608 0.79 MAPT (0.62) DRD4DRD2DRD3SIGMAR1MAPT
SCHEMBL3198071 0.79 HTR3E (0.61) DRD4SIGMAR1MAPTTDP1ALDH1A1
SCHEMBL8550773 0.79 DRD4 (0.55) DRD4DRD2DRD3SIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP disclosed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
US-8012969-B2 Radiopharmaceutical for positron emission tomography; imaging brain tissue; labeled serotonin type 1B (5HT1B) receptor ligands GE HEALTHCARE LIMITED (GB) 2011-09-06 US disclosed
US-8012969-B2 Radiopharmaceutical for positron emission tomography; imaging brain tissue; labeled serotonin type 1B (5HT1B) receptor ligands GE HEALTHCARE LIMITED (GB) 2011-09-06 US disclosed
CN-1934081-A Novel benayl(idene)-lactam derivatives PFIZER (US) 2007-03-21 CN disclosed
EP-1727794-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES Pfizer Products Incorporated (US) 2006-12-06 EP disclosed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 US disclosed
WO-2005090300-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-09-29 WO disclosed
EP-0891344-B1 ALPHA-1 ADRENERGIC RECEPTOR ANTAGONISTS SOD CONSEILS RECH APPLIC (FR) 2002-12-18 EP disclosed
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed
EP-1205473-A1 VESAMICOL PIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2002-05-15 EP disclosed
US-6300499-B1 α1-adrenergic receptor antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-09 US disclosed
EP-0891344-A1 ALPHA 1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-01-20 EP disclosed
WO-1997037983-A1 α1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1997-10-16 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 DRD4 966/4885DRD2 2415/4885DRD3 2161/4885
US-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A DRD4 209/4885DRD2 69/4885DRD3 78/4885
US-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 DRD4 3007/4885DRD2 1757/4885DRD3 2116/4885

“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.