Sugi Predict

Sugi Predict / Compounds / SCHEMBL5690077

SCHEMBL5690077

SCHEMBL5690077

Cc1ccc(Cc2ccc(OC(=O)N3CCC(Sc4nnnn4C)CC3)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ KDM1A O60341 3/20 0.34
▸ BCHE P06276 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34

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
SCHEMBL5931661 0.92 AOC3 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5688370 0.89 SMO (0.33) CYP1A2CYP2C9CYP2C19P2RX3SMO
SCHEMBL5688602 0.89 GRIN2B (0.34) CYP1A2CYP2C9CYP2C19P2RX3SMO
SCHEMBL5691970 0.88 LIPE (0.48) SMN1; SMN2BCHELIPE
SCHEMBL5688785 0.88 NPY2R (0.35) CYP1A2CYP2C9CYP2C19P2RX3NPC1
SCHEMBL5688319 0.88 ALDH1A1 (0.39) ALDH1A1P2RX3SMN1; SMN2NPC1RAB9A
SCHEMBL5690378 0.87 NOS3 (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19P2RX3
SCHEMBL5687508 0.87 TDP1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5687409 0.86 KMT2A (0.40) ALDH1A1SMN1; SMN2TSHR
SCHEMBL5687461 0.85 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19P2RX3SMN1; 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-20060160851-A1 Substituted piperidine carbamates NOVO NORDISK A/S (DK) 2006-07-20 — — US claimed
EP-1636207-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 — — EP claimed
WO-2004111032-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 — — WO claimed
US-20060160851-A1 Substituted piperidine carbamates NOVO NORDISK A/S (DK) 2006-07-20 — — US disclosed
EP-1636207-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 — — EP disclosed
WO-2004111032-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 — — 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-20060160851-A1 Substituted piperidine carbamates LIPE, PNLIP, LIPC ALDH1A1 1044/4885CYP1A2 1527/4885CYP2C9 2274/4885

“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.