SCHEMBL6994974

SCHEMBL6994974

O=C(O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
GRM4 Q14833 3/20 0.45
SLC9A1 P19634 2/20 0.43
TPMT P51580 1/20 0.40
KMO O15229 2/20 0.39
NOTUM Q6P988 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL8150013 1.00 FFAR1 (0.49) FFAR1GRM4SLC9A1TPMTKMO
SCHEMBL6994971 1.00 FFAR1 (0.49) FFAR1GRM4SLC9A1TPMTKMO
SCHEMBL8150011 1.00 FFAR1 (0.49) FFAR1GRM4SLC9A1TPMTKMO
SCHEMBL29134885 0.88 FFAR1 (0.43) FFAR1GRM4SLC9A1KMOMEN1
SCHEMBL30015566 0.88 FFAR1 (0.43) FFAR1GRM4SLC9A1KMOMEN1
SCHEMBL23357835 0.88 FFAR1 (0.43) FFAR1GRM4SLC9A1KMOMEN1
SCHEMBL29302328 0.88 FFAR1 (0.49) FFAR1GRM4SLC9A1ALDH1A1LMNA
SCHEMBL29134884 0.88 FFAR1 (0.43) FFAR1GRM4SLC9A1KMOMEN1
SCHEMBL24737993 0.88 GRM4 (0.47) FFAR1GRM4SLC9A1MAPT
SCHEMBL28855849 0.82 SLC9A1 (0.49) FFAR1GRM4SLC9A1ALDH1A1

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 9 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
CN-107734969-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-02-23 CN disclosed
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 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 (2 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 FFAR1 1708/4885GRM4 1504/4885SLC9A1 354/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 FFAR1 1881/4885GRM4 1051/4885SLC9A1 440/4885

“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.