SCHEMBL4707326

SCHEMBL4707326

CSCCNc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.59
CYP1A2 P05177 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
CXCR4 P61073 1/20 0.52
FABP1 P07148 1/20 0.50
FABP6 P51161 1/20 0.50
FDPS P14324 1/20 0.46
PCSK9 Q8NBP7 1/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CYP2D6 P10635 1/20 0.44
NOS1 P29475 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK10 P53779 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL3265804 0.82 CYP1A2 (0.70) CYP2C19CYP1A2NPC1RAB9ATP53
SCHEMBL21677914 0.81 CYP2C19 (0.58) CYP2C19CYP1A2NPC1RAB9ATP53
SCHEMBL327850 0.79 CYP2C19 (0.65) CYP2C19CYP1A2NPC1RAB9ATP53
SCHEMBL31015708 0.79 CYP2C19 (0.65) CYP2C19CYP1A2NPC1RAB9ATP53
SCHEMBL1837886 0.78 CYP1A2 (0.66) CYP2C19CYP1A2NPC1RAB9ATP53
SCHEMBL10861718 0.78 CYP1A2 (0.66) CYP2C19CYP1A2CXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL27761585 0.77 CYP2C19 (0.62) CYP2C19CYP1A2NPC1RAB9ATP53
Hydrochloric Acid SCHEMBL17871621 0.77 CYP2C19 (0.62) CYP2C19CYP1A2NPC1RAB9ATP53
SCHEMBL1344396 0.77 CYP2C19 (0.62) CYP2C19CYP1A2NPC1RAB9ATP53
SCHEMBL19957596 0.76 SMN1; SMN2 (0.50) CYP2C19CYP1A2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 EP disclosed
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 EP disclosed
CN-111343963-B Use of physiologically cooling active ingredients and compositions comprising such active ingredients 巴斯夫欧洲公司 2023-09-12 CN disclosed
US-11434220-B2 Use of physiological cooling active ingredients, and compositions comprising such active ingredients BASF SE (DE) 2022-09-06 US disclosed
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 US disclosed
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 US disclosed
WO-2019043164-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2019-03-07 WO disclosed
EP-1976528-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-08 EP disclosed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP disclosed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO disclosed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 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-11434220-B2 Use of physiological cooling active ingredients, and compositions comprising such active ingredients TRPM8, TRPM7, TRPM5 CYP2C19 2096/4885CYP1A2 2141/4885NPC1 708/4885
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM5 CYP2C19 2096/4885CYP1A2 2141/4885NPC1 708/4885

“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.