SCHEMBL4420522

SCHEMBL4420522

O=C(CCn1cnc(-c2ccccc2)c1)NCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTR7 P34969 2/20 0.48
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
SLC6A4 P31645 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
DRD3 P35462 1/20 0.47
DRD4 P21917 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL4428508 0.93 MAPT (0.52) HTR1AKMT2AHTR7CA1CA2
SCHEMBL4419298 0.89 ALDH1A1 (0.51) HTR1AHTR7CA1CA2CA7
SCHEMBL4417598 0.88 DRD4 (0.53) HTR1AKMT2AHTR7HTR2ACA1
SCHEMBL4417739 0.87 POLB (0.54) HTR1AMEN1KMT2ALMNAGAA
SCHEMBL4417691 0.86 MAPT (0.63) HTR1AMEN1KMT2ALMNAGAA
SCHEMBL4417227 0.84 LMNA (0.52) HTR1AMEN1KMT2ALMNAGAA
SCHEMBL4419772 0.83 TSHR (0.57) HTR1AKMT2ALMNAHTR7CA1
SCHEMBL4417215 0.83 KDM5A (0.46) HTR1AMEN1KMT2ALMNAHTR7
SCHEMBL4416054 0.81 LMNA (0.53) MEN1KMT2ALMNACA1CA2
SCHEMBL4423539 0.81 HTR7 (0.51) KMT2AHTR7HTR2AHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 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 (1 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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 HTR1A 1240/4885MEN1 2657/4885KMT2A 4575/4885

“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.