SCHEMBL4425296

SCHEMBL4425296

O=C(CCn1cnc(-c2ccccc2)c1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.57
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HTR1A P08908 2/20 0.53
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 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
SCHEMBL4422101 0.94 HTR7 (0.56) HTR7KMT2AMEN1HTR1ADRD4
SCHEMBL4419768 0.93 HTR7 (0.50) HTR7KMT2AMEN1HTR1A
SCHEMBL4423239 0.91 CACNA1G (0.57) HTR7KMT2AMEN1HTR1AHTT
SCHEMBL4419917 0.87 TSHR (0.54) HTR7HTR1AALDH1A1HSD17B10LMNA
SCHEMBL4415388 0.87 ALDH1A1 (0.52) HTR7KMT2AMEN1HTR1AALDH1A1
SCHEMBL4430505 0.87 TSHR (0.52) HTR7KMT2AHTR1APOLBALDH1A1
SCHEMBL4422109 0.85 HTR7 (0.58) HTR7KMT2AMEN1HTR1APOLB
SCHEMBL4419772 0.85 TSHR (0.57) HTR7KMT2AHTR1AALDH1A1USP2
SCHEMBL4413980 0.84 HTR1A (0.59) HTR7KMT2AMEN1HTR1AALDH1A1
SCHEMBL4417077 0.81 CACNA2D1 (0.52) KMT2AALDH1A1USP2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR7 816/4885KMT2A 4575/4885MEN1 2657/4885

“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.