SCHEMBL4744808

SCHEMBL4744808

COc1ccccc1C1CCN(CCNCc2nc(C3(c4ccc(Cl)cc4)CCC3)no2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
ALDH1A1 P00352 1/20 0.44
GRM2 Q14416 1/20 0.39
HSD11B1 P28845 1/20 0.39
ATM Q13315 1/20 0.38
DRD4 P21917 2/20 0.38
NTSR1 P30989 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
Hydrochloric Acid SCHEMBL4744993 0.99 DRD2 (0.44) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4744482 0.98 MEN1 (0.46) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4747163 0.98 MEN1 (0.45) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4748790 0.97 DRD2 (0.46) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4744828 0.94 DRD2 (0.43) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4748282 0.94 DRD2 (0.45) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4747840 0.93 MEN1 (0.44) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4748742 0.93 KMT2A (0.52) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4747647 0.92 MEN1 (0.46) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4747097 0.92 MEN1 (0.46) DRD2MEN1KMT2AALDH1A1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO claimed
US-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PREC MEDICINES INC (US) 2021-05-06 US disclosed
US-20210038589-A1 USES, COMPOSITIONS AND METHODS FISAHN ANDRE (SE) 2021-02-11 US disclosed
WO-2018118101-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2018-06-28 WO disclosed
WO-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO disclosed
WO-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 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 (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-20210038589-A1 USES, COMPOSITIONS AND METHODS APP, CACNA1G, CACNA1B DRD2 3952/4885MEN1 1334/4885KMT2A 4104/4885
US-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF CACNA1G, CACNA1H, CACNA1I DRD2 2751/4885MEN1 1786/4885KMT2A 1538/4885

“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.