SCHEMBL1077814

SCHEMBL1077814

CN(C)C(=O)c1ccc2c(c1)CNCC2

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.55
MELK Q14680 1/20 0.49
PNMT P11086 4/20 0.49
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL30301755 1.00 MAP4K1 (0.55) MAP4K1MELKPNMTADRA2AADRA2B
SCHEMBL25243011 0.94 MAP4K1 (0.49) MAP4K1MELKPNMT
SCHEMBL12608360 0.90 HTR2C (0.50) MAP4K1MELK
SCHEMBL28725517 0.87 ALDH1A1 (0.43) MAP4K1
SCHEMBL14101096 0.85 MELK (0.45) MAP4K1MELKPNMTADRA2AADRA2B
Hydrochloric Acid SCHEMBL30368067 0.85 ALDH1A1 (0.42) MAP4K1
SCHEMBL1301268 0.85 ALDH1A1 (0.56) MAP4K1MELKPNMTADRA2AADRA2B
SCHEMBL3248558 0.82 MELK (0.56) MELKPNMTADRA2AADRA2BADRA2C
SCHEMBL29589725 0.80 ALDH1A1 (0.59) MELKPNMTADRA2AADRA2BADRA2C
SCHEMBL1026913 0.80 ALDH1A1 (0.59) MELKPNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 EP disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 WO disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
US-8865702-B2 B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-8865702-B2 B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
US-20100197664-A1 NOVEL B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197664-A1 NOVEL B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 WO disclosed
WO-2009013299-A2 NOVEL BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 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 (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-20100197664-A1 NOVEL B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB MAP4K1 492/4885MELK 1964/4885PNMT 2238/4885
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 MAP4K1 3574/4885MELK 1215/4885PNMT 2341/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 MAP4K1 2432/4885MELK 886/4885PNMT 1030/4885
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 MAP4K1 3146/4885MELK 3677/4885PNMT 3410/4885

“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.