SCHEMBL25091647

SCHEMBL25091647

CCn1cc(C)c(C(=O)Nc2ccc(F)c(C)c2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.41
▸ RAB9A P51151 7/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TRPA1 O75762 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
SCHEMBL21810028 0.88 ALDH1A1 (0.38) NPC1RAB9ALMNAMAPTTSHR
SCHEMBL21810315 0.85 ALDH1A1 (0.42) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL23498802 0.81 MAPT (0.42) NPC1RAB9ALMNAMAPTTSHR
SCHEMBL23498776 0.79 POLB (0.40) NPC1RAB9ALMNAMAPTTSHR
SCHEMBL21810119 0.79 ALDH1A1 (0.37) NPC1RAB9ALMNAMAPTTSHR
SCHEMBL23499113 0.76 SMN1; SMN2 (0.40) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL21809610 0.75 ALDH1A1 (0.48) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL24890437 0.74 RAB9A (0.46) NPC1RAB9ALMNAMAPTTSHR
SCHEMBL21727548 0.74 CA9 (0.45) NPC1RAB9ALMNAMAPT
SCHEMBL16236823 0.74 RAB9A (0.41) NPC1RAB9ALMNAMAPTTSHR

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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 — — 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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP NPC1 117/4885RAB9A 1300/4885LMNA 2483/4885

“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.

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