SCHEMBL3972852

SCHEMBL3972852

NCC1CCc2ccccc2N1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.52
HTR2A P28223 2/20 0.44
RET P07949 1/20 0.44
SMYD3 Q9H7B4 1/20 0.41
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
PLAU P00749 1/20 0.37
CREBBP Q92793 2/20 0.37
BRD4 O60885 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Hydrochloric Acid SCHEMBL6442427 0.98 MTNR1A (0.51) MTNR1AHTR2ARETSMYD3HTR2C
SCHEMBL692496 0.89 MTNR1A (0.43) MTNR1AHTR2ARETSMYD3HTR2C
SCHEMBL5787532 0.86 MTNR1A (0.50) MTNR1AHTR2ARETSMYD3HRH1
SCHEMBL7951734 0.85 MTNR1A (0.55) MTNR1AHTR2ARETSMYD3PLAU
Tert-Butyl Formate SCHEMBL27742137 0.83 MTNR1A (0.46) MTNR1AHTR2ARETSMYD3CREBBP
SCHEMBL7149457 0.81 MTNR1A (0.56) MTNR1AHTR2ASMYD3CREBBPBRD4
SCHEMBL4139663 0.81 MTNR1A (0.60) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL3115244 0.81 MTNR1A (0.52) MTNR1AHTR2ASMYD3PLAUCREBBP
SCHEMBL20870486 0.81 MTNR1A (0.60) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL22262591 0.81 MTNR1A (0.60) MTNR1ASMYD3CREBBPBRD4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-10-22 US claimed
EP-3153510-B1 FUSED AZINES AS CHEMOKINE CXCR4 RECEPTOR MODULATORS AND USES RELATED THERETO UNIV EMORY (US) 2020-05-06 EP disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
EP-2816040-A1 Process for the production of CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 EP disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-10-22 US disclosed
EP-2054417-A2 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB Pharma S.A. (BE) 2009-05-06 EP disclosed
WO-2008020206-A2 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2008-02-21 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 (2 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-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 MTNR1A 595/4885HTR2A 474/4885RET 685/4885
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS MAPK15, MOK, MAPK14 MTNR1A 4375/4885HTR2A 3400/4885RET 230/4885

“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.