SCHEMBL3301951

SCHEMBL3301951

Cc1ccc(N2CCN(C(=O)CCl)CC2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.60
ALDH1A1 P00352 4/20 0.60
POLB P06746 1/20 0.60
TSHR P16473 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 1/20 0.55
USP2 O75604 1/20 0.53
ADAMTS5 Q9UNA0 1/20 0.51

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
SCHEMBL9987794 0.89 HTT (0.58) HTTALDH1A1POLBTSHRMEN1
SCHEMBL8691022 0.82 AR (0.63) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL9052600 0.81 HTT (0.71) HTTALDH1A1POLBTSHRMEN1
SCHEMBL19384371 0.80 HTR1A (0.65) HTTALDH1A1POLBTSHRMEN1
SCHEMBL12916359 0.78 HTT (0.59) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL3770303 0.77 ALDH1A1 (0.51) HTTALDH1A1POLBTSHRMEN1
SCHEMBL16255716 0.77 TSHR (0.72) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL3301622 0.77 MAPT (0.71) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL19134939 0.76 AR (0.78) HTTALDH1A1POLBTSHRMEN1
SCHEMBL1904905 0.76 AKR1C3 (0.61) HTTALDH1A1TSHRLMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 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-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 HTT 2109/4885ALDH1A1 4048/4885POLB 4842/4885

“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.