SCHEMBL4419772

SCHEMBL4419772

O=C(CCn1cnc(-c2ccccc2)c1)NCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ACHE P22303 8/20 0.57
FAAH O00519 7/20 0.57
BCHE P06276 4/20 0.57
HTR1A P08908 2/20 0.55
HTR7 P34969 2/20 0.55
MMP2 P08253 1/20 0.52
MMP8 P22894 1/20 0.52
KMT2A Q03164 1/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL4417433 0.93 TSHR (0.52) TSHRALDH1A1L3MBTL1ACHEFAAH
SCHEMBL4419298 0.93 ALDH1A1 (0.51) TSHRALDH1A1L3MBTL1ACHEFAAH
SCHEMBL4418590 0.92 HTT (0.53) TSHRALDH1A1L3MBTL1ACHEFAAH
SCHEMBL4417106 0.92 ALDH1A1 (0.49) TSHRALDH1A1L3MBTL1ACHEFAAH
SCHEMBL4428508 0.88 MAPT (0.52) TSHRALDH1A1HTR1AHTR7KMT2A
SCHEMBL4417215 0.87 KDM5A (0.46) TSHRALDH1A1L3MBTL1ACHEFAAH
SCHEMBL4416126 0.86 HTR1A (0.56) TSHRALDH1A1L3MBTL1ACHEFAAH
SCHEMBL4416054 0.85 LMNA (0.53) ALDH1A1KMT2ALMNAHTTCA1
SCHEMBL4425296 0.85 HTR7 (0.57) ALDH1A1HTR1AHTR7KMT2AUSP2
SCHEMBL4417691 0.84 MAPT (0.63) ALDH1A1HTR1AHTR7KMT2AUSP2

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 TSHR 3065/4885ALDH1A1 3972/4885L3MBTL1 4478/4885

“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.