SCHEMBL3962464

SCHEMBL3962464

O=c1[nH]c(-c2ccc(Cl)c(Cl)c2)cn1C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A2 P23975 15/20 0.41
SLC6A4 P31645 15/20 0.41
SLC6A3 Q01959 15/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TYMP P19971 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL3965261 0.83 DRD2 (0.50) DRD2DRD4DRD3SLC6A4HTT
SCHEMBL13801363 0.83 DRD2 (0.50) DRD2DRD4DRD3SLC6A4SLC6A3
SCHEMBL14410230 0.82 DRD2 (0.46) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL14098821 0.82 DRD2 (0.46) DRD2DRD4DRD3KDM4EMEN1
SCHEMBL3958053 0.81 DRD2 (0.47) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL3962522 0.80 DRD2 (0.61) DRD2DRD4DRD3
SCHEMBL17803212 0.80 DRD2 (0.48) DRD2DRD4DRD3KDM4EMEN1
SCHEMBL3253448 0.80 DRD2 (0.48) DRD2DRD4DRD3KDM4EMEN1
SCHEMBL3247769 0.80 DRD2 (0.48) DRD2DRD4DRD3
SCHEMBL2102005 0.79 DRD2 (0.64) DRD2DRD4DRD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7407963-B2 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-08-05 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS DRD2 187/4885DRD4 139/4885DRD3 160/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 DRD2 198/4885DRD4 125/4885DRD3 168/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS DRD2 130/4885DRD4 86/4885DRD3 106/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 DRD2 198/4885DRD4 125/4885DRD3 168/4885

“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.