SCHEMBL7267019

SCHEMBL7267019

CC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CCN(C)CCCc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 1.00
CACNA1H O95180 12/20 0.74
CACNA1C Q13936 10/20 0.74
CYP2D6 P10635 4/20 0.74
MAPT P10636 4/20 0.72
CACNA1B Q00975 3/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
ALDH1A1 P00352 2/20 0.72
KCNH2 Q12809 2/20 0.71
ABCB11 O95342 2/20 0.71
NPC1 O15118 2/20 0.71
TP53 P04637 2/20 0.71
CYP1A2 P05177 2/20 0.71
ALOX15 P16050 2/20 0.71
MAPK1 P28482 2/20 0.71
CYP2C19 P33261 2/20 0.71
THPO P40225 2/20 0.71
MTOR P42345 2/20 0.71
RAB9A P51151 2/20 0.71

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
SCHEMBL7449450 1.00 CYP3A4 (1.00) CYP3A4CACNA1HCACNA1CCYP2D6MAPT
SCHEMBL22761579 1.00 CYP3A4 (1.00) CYP3A4CACNA1HCACNA1CCYP2D6MAPT
SCHEMBL7273270 0.98 CYP3A4 (0.95) CYP3A4CACNA1HCACNA1CCYP2D6MAPT
SCHEMBL7266333 0.97 CYP3A4 (0.94) CYP3A4CACNA1HCACNA1CCYP2D6MAPT
SCHEMBL7267079 0.97 CYP3A4 (0.94) CYP3A4CACNA1HCACNA1CCYP2D6MAPT
SCHEMBL7266465 0.97 CYP3A4 (0.94) CYP3A4CACNA1HCACNA1CCYP2D6MAPT
Hydrochloric Acid SCHEMBL10539326 0.96 CYP3A4 (0.92) CYP3A4CACNA1HCACNA1CCYP2D6MAPT
Hydrochloric Acid SCHEMBL7266400 0.96 CYP3A4 (0.92) CYP3A4CACNA1HCACNA1CCYP2D6MAPT
Oxalic Acid SCHEMBL8353249 0.95 CYP3A4 (0.90) CYP3A4CACNA1HCACNA1CCYP2D6MAPT
SCHEMBL10542576 0.90 CYP3A4 (0.82) CYP3A4CACNA1HCACNA1CCYP2D6MAPT

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-11130750-B2 Calcium channel inhibitors CAVION, INC. (US) 2021-09-28 US disclosed
US-11130750-B2 Calcium channel inhibitors CAVION, INC. (US) 2021-09-28 US disclosed
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CAVION, INC. 2020-12-10 US disclosed
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CAVION, INC. 2020-12-10 US disclosed
WO-1998049149-A1 PREPARATION OF MIBEFRADIL I F. HOFFMANN-LA ROCHE AG (CH) 1998-11-05 WO disclosed
WO-1998049147-A1 PREPARATION OF MIBEFRADIL III F. HOFFMANN-LA ROCHE AG (CH) 1998-11-05 WO disclosed
WO-1998049148-A1 PREPARATION OF MIBEFRADIL II F. HOFFMANN-LA ROCHE AG (CH) 1998-11-05 WO disclosed
EP-0268148-B1 TETRAHYDRONAPHTHALENE DERIVATIVES AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
US-4808605-A Tetrahydronaphthalene derivatives as calcium antagonists HOFFMANN-LA ROCHE INC. (US) 1989-02-28 US disclosed
EP-0268148-A1 Tetrahydronaphthalene derivatives and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-05-25 EP 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-11130750-B2 Calcium channel inhibitors CACNA1F, ORAI1, CACNA1E CYP3A4 2305/4885CACNA1H 12/4885CACNA1C 10/4885
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CACNA1F, ORAI1, CACNA1E CYP3A4 2305/4885CACNA1H 12/4885CACNA1C 10/4885

“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.