SCHEMBL10107437

SCHEMBL10107437

CCNC(=O)C1(c2ccccc2)CC[C@@H](C(=O)O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.40
OPRM1 P35372 3/20 0.40
OPRL1 P41146 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC4 P56524 3/20 0.34
P2RX7 Q99572 1/20 0.34
OPRD1 P41143 1/20 0.33
CHRM2 P08172 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 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
SCHEMBL10107435 1.00 HDAC9 (0.40) HDAC9OPRM1OPRL1SMN1; SMN2HTT
SCHEMBL10122259 1.00 HDAC9 (0.40) HDAC9OPRM1OPRL1SMN1; SMN2HTT
SCHEMBL10107416 0.91 HTT (0.40) HDAC9SMN1; SMN2HTTLMNACHRM2
SCHEMBL10107429 0.88 SIGMAR1 (0.39) HDAC9OPRM1OPRL1SMN1; SMN2HTT
SCHEMBL10107427 0.88 SIGMAR1 (0.39) HDAC9OPRM1OPRL1SMN1; SMN2HTT
SCHEMBL10107428 0.88 SIGMAR1 (0.39) HDAC9OPRM1OPRL1SMN1; SMN2HTT
SCHEMBL10107410 0.87 SLC6A4 (0.44) HDAC9OPRM1OPRL1SMN1; SMN2
SCHEMBL10107451 0.84 HDAC9 (0.40) HDAC9OPRM1OPRL1SMN1; SMN2HTT
SCHEMBL10107407 0.82 HDAC9 (0.42) HDAC9SMN1; SMN2LMNANPSR1
SCHEMBL1753719 0.82 AKR1C1 (0.41) HDAC9HTTLMNAHDAC4KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114880-B2 Piperidine or piperazine substituted tetrahydro-naphthalene-1-carboxylic acid MTP inhibiting compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-31 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 (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-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS PNLIP, APOB, LIPC HDAC9 2506/4885OPRM1 2897/4885OPRL1 903/4885

“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.