SCHEMBL4423588

SCHEMBL4423588

CC1(c2ccccc2)CN(c2ccc(Cl)cc2)CCN1CCNC(=O)CCn1ccnc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ HTR1A P08908 3/20 0.37
▸ DRD2 P14416 4/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4428542 0.92 ALDH1A1 (0.38) HTR1ADRD2DRD4LMNAL3MBTL1
SCHEMBL4417932 0.84 ESR1 (0.47) ESR1HTR1ALMNAHTR7P2RX4
SCHEMBL4417230 0.82 HTR1A (0.38) HTR1ADRD2DRD4LMNAL3MBTL1
SCHEMBL4416262 0.82 HTR1A (0.38) HTR1ADRD2DRD4LMNAL3MBTL1
SCHEMBL4422983 0.76 ESR1 (0.55) ESR1HTR1ADRD2HTR7TSHR
SCHEMBL4423590 0.76 ESR1 (0.42) ESR1HTR1ADRD2LMNAL3MBTL1
SCHEMBL4417265 0.75 MEN1 (0.43) HTR1ALMNAHTR7MMP2MMP13
SCHEMBL27520895 0.75 HTR1A (0.46) HTR1ADRD2DRD4LMNAL3MBTL1
SCHEMBL4419294 0.75 MAPT (0.57) HTR1ALMNAHTR7MAPTMEN1
SCHEMBL4415467 0.74 HTR1A (0.51) ESR1HTR1ALMNAHTR7OPRK1

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 ESR1 4432/4885HTR1A 1240/4885DRD2 2162/4885

“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.

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