SCHEMBL4417933

SCHEMBL4417933

O=C(CCn1ccnc1-c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.47
▸ HTR7 P34969 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR1A P08908 2/20 0.40
▸ PDE6D O43924 1/20 0.39
▸ NR1H2 P55055 2/20 0.38
▸ NR1H3 Q13133 2/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ P2RX4 Q99571 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RGS12 O14924 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL4417268 0.90 HTR7 (0.43) HTR7MAPTMEN1KMT2AHTR1A
SCHEMBL4423590 0.83 ESR1 (0.42) ESR1HTR7MAPTMEN1KMT2A
SCHEMBL4430303 0.81 HTR7 (0.42) HTR7MAPTMEN1KMT2AHTR1A
SCHEMBL4425311 0.80 HTR7 (0.43) HTR7MAPTMEN1KMT2AHTR1A
SCHEMBL4417932 0.74 ESR1 (0.47) ESR1HTR7MAPTMEN1KMT2A
SCHEMBL4428545 0.74 ALDH1A1 (0.40) HTR7MAPTMEN1KMT2AHTR1A
SCHEMBL4430531 0.74 ESR1 (0.62) ESR1HTR7MAPTMEN1KMT2A
SCHEMBL4426690 0.73 HTR7 (0.56) ESR1HTR7MEN1KMT2AHTR1A
SCHEMBL4423543 0.72 HTR1A (0.63) ESR1HTR7MAPTMEN1KMT2A
SCHEMBL2116079 0.71 MEN1 (0.49) HTR7MAPTMEN1KMT2AHTR1A

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 ESR1 4432/4885HTR7 816/4885MAPT 2493/4885

“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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