SCHEMBL16548331

SCHEMBL16548331

COc1cccc([C@@H](C)NC(C)c2cc(-c3cccc(C(C)(C)C(=O)O)c3)c3ccccc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LTB4R Q15722 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ CASR P41180 7/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ PPARG P37231 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PPARA Q07869 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 SCHEMBL17939891 0.99 GPR84 (0.41) GPR84SMN1; SMN2MEN1LMNAPOLB
SCHEMBL16548334 0.92 CASR (0.45) SMN1; SMN2MEN1LMNAKMT2AMTNR1A
Hydrochloric Acid SCHEMBL16540216 0.91 CASR (0.44) SMN1; SMN2MEN1LMNAKMT2AMTNR1A
SCHEMBL16548311 0.90 SMN1; SMN2 (0.38) GPR84SMN1; SMN2MEN1LMNAPOLB
SCHEMBL17939962 0.90 SMN1; SMN2 (0.38) GPR84SMN1; SMN2MEN1LMNAPOLB
SCHEMBL17939831 0.86 CASR (0.52) GPR84SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL16548131 0.86 CASR (0.52) GPR84SMN1; SMN2MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL17939894 0.85 CASR (0.51) GPR84SMN1; SMN2MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL17939895 0.85 CASR (0.51) GPR84SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL16548133 0.83 CASR (0.48) SMN1; SMN2MEN1LMNAPOLBKMT2A

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 5 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-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
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US disclosed
WO-2015028938-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-03-05 — — 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 (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 GPR84 186/4885SMN1; SMN2 1164/4885MEN1 2646/4885

“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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