SCHEMBL4168923

SCHEMBL4168923

CN1CCN(C2(OCc3ccccc3)C=C[CH]C=C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
MC4R P32245 1/20 0.41
HCN1 O60741 1/20 0.40
HCN4 Q9Y3Q4 1/20 0.40
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LTA4H P09960 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
SCHEMBL12049730 0.69 SCN1A (0.49) RAB9ANPC1TP53MC4RHRH4
SCHEMBL3938379 0.67 RAB9A (0.36) RAB9ANPC1TP53MC4RHCN1
SCHEMBL20892082 0.66 MC4R (0.53) RAB9ANPC1TP53MC4RHRH4
N-Methylpiperidine SCHEMBL27872310 0.63 MC4R (0.53) RAB9ANPC1TP53MC4RHRH4
SCHEMBL14279644 0.63 GAA (0.55) MC4RHCN1HCN4SIGMAR1
SCHEMBL3600511 0.61
SCHEMBL24673292 0.61 MEN1 (0.66) RAB9ANPC1HRH3SIGMAR1
SCHEMBL2607031 0.61 MEN1 (0.66) RAB9ANPC1HRH3SIGMAR1
SCHEMBL2085642 0.61 MC4R (0.69) RAB9ANPC1TP53MC4RSIGMAR1
SCHEMBL19567595 0.61 CCR6 (0.36) RAB9ANPC1TP53MC4RHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 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 (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-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 RAB9A 1730/4885NPC1 1185/4885TP53 659/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 RAB9A 1730/4885NPC1 1185/4885TP53 659/4885

“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.