SCHEMBL17945540

SCHEMBL17945540

COc1cccc([C@@H](C)NC(C)c2cc(-c3ccc(OC(F)(F)F)cc3)c3ccccc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 11/20 0.45
▸ TRPV1 Q8NER1 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ PFKFB3 Q16875 3/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.38
▸ ATP1A1 P05023 1/20 0.37
▸ ATP1B1 P05026 1/20 0.37
▸ ATP1A3 P13637 1/20 0.37
▸ ATP1B2 P14415 1/20 0.37
▸ ATP1A2 P50993 1/20 0.37
▸ ATP1B3 P54709 1/20 0.37
▸ FXYD2 P54710 1/20 0.37
▸ ATP1A4 Q13733 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
Hydrochloric Acid SCHEMBL17939817 0.99 CASR (0.44) CASRTRPV1NPC1RAB9ASLC6A2
SCHEMBL16548219 0.89 CASR (0.41) CASRTRPV1CYP2C9ATP1A1ATP1B1
SCHEMBL18215361 0.89 CASR (0.41) CASRTRPV1CYP2C9ATP1A1ATP1B1
SCHEMBL17939923 0.89 CASR (0.59) CASRNPC1RAB9ASLC6A2SLC6A4
SCHEMBL16548161 0.89 CASR (0.59) CASRNPC1RAB9ASLC6A2SLC6A4
SCHEMBL17939892 0.89 CASR (0.59) CASRNPC1RAB9ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL17939852 0.88 CASR (0.41) CASRCYP2C9ATP1A1ATP1B1ATP1A3
Hydrochloric Acid SCHEMBL16540022 0.88 CASR (0.58) CASRNPC1RAB9ASLC6A2SLC6A4
SCHEMBL16548307 0.87 MEN1 (0.47) CASRSLC6A2SLC6A4PFKFB3ROCK2
SCHEMBL17945927 0.87 CASR (0.41) CASRSLC6A2SLC6A4PFKFB3ROCK2

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-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — 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-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, RYR1 CASR 1/4885TRPV1 6/4885NPC1 234/4885

“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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