Sugi Predict

Sugi Predict / Compounds / SCHEMBL8339971

SCHEMBL8339971

SCHEMBL8339971

Cc1ccc(N2CCN(C)CC2=O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CTSC P53634 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ CTSG P08311 1/20 0.36
▸ CMA1 P23946 1/20 0.36

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
SCHEMBL15765651 0.79 SLC6A2 (0.49) SLC6A2SLC6A4L3MBTL1ALDH1A1NPC1
SCHEMBL10120657 0.78 SCN9A (0.40) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7806456 0.78 BRD9 (0.53) BRD9HSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL8340776 0.77 L3MBTL1 (0.56) SLC6A2SLC6A4L3MBTL1HSD17B10NPC1
SCHEMBL8267983 0.77 BRD9 (0.59) BRD9HSD17B10ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL15305580 0.77 NPC1 (0.50) SLC6A2SLC6A4L3MBTL1BRD9HSD17B10
SCHEMBL8312046 0.76 BRD9 (0.58) BRD9ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL12879707 0.75 L3MBTL1 (0.51) SLC6A2SLC6A4L3MBTL1HSD17B10MAPT
SCHEMBL8306961 0.75 SLC6A2 (0.49) SLC6A2SLC6A4BRD9ALDH1A1NPC1
SCHEMBL8305482 0.75 F10 (0.47) ALDH1A1TP53CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970283-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-11-11 — — EP disclosed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 — — US disclosed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 — — US disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 — — 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 SLC6A2 3035/4885SLC6A4 3061/4885L3MBTL1 1475/4885

“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.