SCHEMBL4982086

SCHEMBL4982086

Cc1ccc(-c2ccccc2C(=O)Nc2ccc3ccccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.67
▸ RAB9A P51151 8/20 0.67
▸ PDE10A Q9Y233 6/20 0.53
▸ TP53 P04637 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HCRTR1 O43613 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ MTOR P42345 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ MTTP P55157 1/20 0.50
▸ WNT3A P56704 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA2B P29275 1/20 0.49

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
SCHEMBL4983515 0.86 NPC1 (0.60) NPC1RAB9APDE10ACASP3SENP7
SCHEMBL4984060 0.86 NPC1 (0.56) NPC1RAB9APDE10ASMN1; SMN2NFKB1
SCHEMBL4989264 0.86 GAA (0.58) NPC1RAB9APDE10ASMN1; SMN2NFKB1
SCHEMBL4982631 0.86 MTTP (0.62) NPC1RAB9APDE10AMAPTCASP3
SCHEMBL4987243 0.85 MTTP (0.60) NPC1RAB9AMTTP
SCHEMBL4984625 0.84 MTTP (0.55) NPC1RAB9APDE10ASMN1; SMN2NFKB1
SCHEMBL4983597 0.84 NPC1 (0.56) NPC1RAB9APDE10ASORT1MTTP
SCHEMBL4983839 0.84 NPC1 (0.63) NPC1RAB9APDE10ATP53SMN1; SMN2
SCHEMBL4988527 0.83 MTTP (0.66) NPC1RAB9APDE10ACASP3SENP7
SCHEMBL4984530 0.83 MTTP (0.55) NPC1RAB9APDE10ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 — — US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 — — US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 — — US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 — — US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 — — US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 — — 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 (3 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN NPC1 32/4885RAB9A 1687/4885PDE10A 2808/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 NPC1 32/4885RAB9A 2095/4885PDE10A 3287/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 NPC1 32/4885RAB9A 2095/4885PDE10A 3287/4885

“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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