SCHEMBL4283797

SCHEMBL4283797

O=C(CC1CCC(NC(=O)C2CCNCC2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
ACKR3 P25106 2/20 0.42
ACP1 P24666 1/20 0.42
CXCR3 P49682 4/20 0.41
F10 P00742 1/20 0.40
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TACR1 P25103 1/20 0.39
PAK3 O75914 1/20 0.39
PAK1 Q13153 1/20 0.39
PAK2 Q13177 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL4283792 1.00 POLB (0.43) POLBLMNAACKR3ACP1CXCR3
SCHEMBL1444131 0.87 LMNA (0.52) LMNAACP1ALDH1A1TACR1MEN1
Hydrochloric Acid SCHEMBL1445368 0.85 LMNA (0.51) LMNAACP1ALDH1A1TACR1MEN1
SCHEMBL4279707 0.84 HTR1A (0.43) LMNAACP1CXCR3ALDH1A1TACR1
SCHEMBL4282333 0.84 HTR1A (0.43) LMNAACP1CXCR3ALDH1A1TACR1
SCHEMBL4274244 0.84 HTR1A (0.43) LMNAACP1CXCR3ALDH1A1TACR1
SCHEMBL4270712 0.84 HTR1A (0.43) LMNAACP1CXCR3ALDH1A1TACR1
SCHEMBL4270706 0.84 HTR1A (0.43) LMNAACP1CXCR3ALDH1A1TACR1
SCHEMBL4270711 0.84 HTR1A (0.43) LMNAACP1CXCR3ALDH1A1TACR1
SCHEMBL4274250 0.84 HTR1A (0.43) LMNAACP1CXCR3ALDH1A1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298834-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-12-03 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 (1 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-20090298834-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNA1H POLB 4526/4885LMNA 1081/4885ACKR3 3542/4885

“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.