Sugi Predict

Sugi Predict / Compounds / SCHEMBL3989140

SCHEMBL3989140

SCHEMBL3989140

Nc1cc(C2CCN(C(=O)O)CC2)c(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 2/20 0.37
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ SLC9A1 P19634 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ACLY P53396 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL4813633 0.87 SLC9A1 (0.37) RBP4TLR9TLR8TLR7PARP10
SCHEMBL20836651 0.84 SLC9A1 (0.39) RBP4TLR9TLR8TLR7PARP10
SCHEMBL7985253 0.81 PARP10 (0.41) RBP4PARP10NPC1CYP2C9SLC9A1
SCHEMBL3816206 0.81 RBP4 (0.39) RBP4PARP10NPC1CYP2C9SLC9A1
SCHEMBL31140149 0.81 PARP10 (0.41) RBP4PARP10NPC1CYP2C9SLC9A1
SCHEMBL3990819 0.80 MAPT (0.54) DPP4
SCHEMBL21275517 0.78 TRPC6 (0.44) —
SCHEMBL21999828 0.78 ALDH1A1 (0.34) —
SCHEMBL3817499 0.78 QDPR (0.44) PARP10NPC1RAB9AATMIDO1
SCHEMBL28096680 0.78 HDAC1 (0.46) PARP10NPC1RAB9AATMIDO1

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-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 — — US disclosed
EP-1804796-A2 AMINO SUBSTITUTED ARYLOXYBENZYLPIPERIDINE DERIVATIVES H.Lundbeck A/S (DK) 2007-07-11 — — EP disclosed
WO-2006041636-A2 AMINO SUBSTITUTED ARYLOXYBENZYLPIPERIDINE DERIVATIVES H.LUNDBECK A/S (DK) 2006-04-20 — — WO disclosed
US-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2005-11-03 — — US disclosed
US-20050154022-A1 4-aryl piperidines H. LUNDBECK A/S 2005-07-14 — — US disclosed
US-20050154020-A1 4-Aryl piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2005-07-14 — — 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-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, MC1R RBP4 1251/4885TLR9 2337/4885TLR8 2566/4885
US-20050154022-A1 4-aryl piperidines MCHR1, MCHR2, MC1R RBP4 1298/4885TLR9 1707/4885TLR8 1786/4885
US-20050154020-A1 4-Aryl piperidines MCHR1, MCHR2, MC1R RBP4 1298/4885TLR9 1707/4885TLR8 1786/4885

“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.