SCHEMBL6788342

SCHEMBL6788342

O=C(O)Cc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
HPGD P15428 5/20 0.54
USP2 O75604 1/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
ACACB O00763 1/20 0.49
CDK2 P24941 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
F10 P00742 2/20 0.47
POLB P06746 2/20 0.47
NSD2 O96028 1/20 0.47
GRK2 P25098 1/20 0.47
CASP6 P55212 1/20 0.47

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
SCHEMBL5124270 0.97 ALDH1A1 (0.66) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL1675932 0.83 ALDH1A1 (0.59) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL8149641 0.81 ALDH1A1 (0.57) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL5727192 0.81 ALDH1A1 (0.62) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL322211 0.80 ALDH1A1 (0.93) ALDH1A1HPGDMAPTLMNANPC1
SCHEMBL7149795 0.80 USP2 (0.57) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL7148309 0.80 MAPT (0.68) ALDH1A1HPGDUSP2MAPTCDK2
SCHEMBL20053829 0.79 ALDH1A1 (0.59) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL6385785 0.79 USP2 (0.56) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL505844 0.79 ALDH1A1 (0.90) ALDH1A1HPGDMAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 US disclosed
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 US disclosed
EP-3950059-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS Nippon Chemiphar Co., Ltd. (JP) 2022-02-09 EP disclosed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 EP disclosed
WO-2020203609-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS 日本ケミファ株式会社 2020-10-08 WO disclosed
WO-2020203610-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING RHEUMATOID ARTHRITIS 日本ケミファ株式会社 2020-10-08 WO disclosed
WO-2020017569-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日本ケミファ株式会社 2020-01-23 WO disclosed
US-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-01-29 US disclosed
EP-1345909-A1 PHENYLACETAMIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-09-24 EP disclosed
WO-2002048114-A1 PHENYLACETAMIDO- PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-06-20 WO 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 (3 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-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1H ALDH1A1 3434/4885HPGD 2459/4885USP2 3277/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 ALDH1A1 3671/4885HPGD 3071/4885USP2 2866/4885
US-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents DCK, CCNK, CDK2 ALDH1A1 774/4885HPGD 1028/4885USP2 3226/4885

“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.