SCHEMBL4419791

SCHEMBL4419791

Cc1cccc(N2CCN(CCNC(=O)CCn3cnc(-c4ccccc4)c3)C(Cc3ccccc3)C2)c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 8/20 0.39
▸ HTR2C P28335 8/20 0.39
▸ SLC6A4 P31645 8/20 0.39
▸ HTR7 P34969 3/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL4417234 0.84 LMNA (0.39) HTR7HTR1AMEN1KMT2AMAPT
SCHEMBL4419789 0.78 MAPT (0.39) HTR2AHTR2CSLC6A4HTR7MEN1
SCHEMBL4416267 0.77 LMNA (0.38) HTR7HTR1ADRD2MEN1KMT2A
SCHEMBL4419131 0.77 MAPT (0.58) MEN1KMT2AMAPTLMNAHTT
SCHEMBL4423539 0.72 HTR7 (0.51) HTR2AHTR2CSLC6A4HTR7KMT2A
SCHEMBL4417106 0.71 ALDH1A1 (0.49) HTR7HTR1AMEN1KMT2ALMNA
SCHEMBL4419772 0.71 TSHR (0.57) HTR7HTR1AKMT2AMAPTLMNA
SCHEMBL4428508 0.71 MAPT (0.52) HTR7HTR1ADRD2KMT2AMAPT
SCHEMBL4417739 0.71 POLB (0.54) HTR1ADRD2MEN1KMT2AMAPT
SCHEMBL4417691 0.69 MAPT (0.63) HTR7HTR1AMEN1KMT2AMAPT

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 HTR2A 1068/4885HTR2C 1400/4885SLC6A4 946/4885

“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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