SCHEMBL4417230

SCHEMBL4417230

CC1(c2ccccc2)CN(c2ccc(Cl)cc2)CCN1CCNC(=O)CCn1cnc(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.38
▸ HTR7 P34969 3/20 0.38
▸ MAPT P10636 1/20 0.37
▸ DRD2 P14416 3/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL4416262 0.90 HTR1A (0.38) HTR1AHTR7MAPTDRD2DRD4
SCHEMBL4419789 0.84 MAPT (0.39) HTR7MAPTLMNAADAMTS5SLC6A4
SCHEMBL4430300 0.84 HTR1A (0.41) HTR1AHTR7MAPTLMNAMMP2
SCHEMBL4423588 0.82 ESR1 (0.42) HTR1AHTR7MAPTDRD2DRD4
SCHEMBL4428542 0.81 ALDH1A1 (0.38) HTR1AHTR7DRD2DRD4LMNA
SCHEMBL4428508 0.76 MAPT (0.52) HTR1AHTR7MAPTDRD2SMN1; SMN2
SCHEMBL4417234 0.76 LMNA (0.39) HTR1AHTR7MAPTLMNAL3MBTL1
SCHEMBL4417691 0.75 MAPT (0.63) HTR1AHTR7MAPTLMNASMN1; SMN2
SCHEMBL27520895 0.75 HTR1A (0.46) HTR1AHTR7MAPTDRD2DRD4
SCHEMBL4420522 0.74 HTR1A (0.51) HTR1AHTR7MAPTDRD4LMNA

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 1240/4885HTR7 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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