SCHEMBL2306003

SCHEMBL2306003

O=C(O)CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AKR1B1 P15121 1/20 0.37
POLB P06746 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL2310822 0.92 HSD11B1 (0.44) HSD11B1KMT2AMEN1ALDH1A1HPGD
SCHEMBL2310569 0.86 CYP2D6 (0.46) HSD11B1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL2382229 0.85 SLC6A9 (0.40) HSD11B1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL2380625 0.81 ALDH1A1 (0.41) HSD11B1ALDH1A1SMN1; SMN2POLB
SCHEMBL2310277 0.81 OPRM1 (0.48) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL2315586 0.79 OPRM1 (0.45) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL2310361 0.79 TP53 (0.57) KMT2AALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2309749 0.78 OPRM1 (0.53) HSD11B1SMN1; SMN2
SCHEMBL2311734 0.78 OPRM1 (0.53) HSD11B1SMN1; SMN2
SCHEMBL2311285 0.78 ALDH1A1 (0.44) HSD11B1KMT2AMEN1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815869-B2 Lactam acetamides as calcium channel blockers ABBVIE INC. (US) 2014-08-26 US disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
WO-2011115813-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 WO disclosed
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D HSD11B1 2132/4885KMT2A 3931/4885MEN1 1085/4885
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1D, CACNA1S HSD11B1 1413/4885KMT2A 3673/4885MEN1 470/4885

“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.