SCHEMBL10107580

SCHEMBL10107580

COc1ccccc1C(=O)N(C)C1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.64
SLC6A2 P23975 10/20 0.64
KCNH2 Q12809 6/20 0.64
SLC6A3 Q01959 4/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
CYP2D6 P10635 4/20 0.47
HTR2C P28335 2/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CDK2 P24941 1/20 0.44
BRPF1 P55201 1/20 0.43
SMO Q99835 1/20 0.43

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
SCHEMBL30514761 0.83 NPC1 (0.52) SLC6A4SLC6A2KCNH2HPGDTSHR
SCHEMBL10293552 0.82 POLB (0.51) SLC6A4SLC6A2KCNH2HPGDTSHR
Hydrochloric Acid SCHEMBL30956785 0.81 POLB (0.53) SLC6A4SLC6A2KCNH2HPGDTSHR
SCHEMBL15880641 0.80 SLC6A2 (0.47) SLC6A4SLC6A2KCNH2HPGDTSHR
SCHEMBL4661421 0.78 HPGD (0.49) SLC6A4SLC6A2KCNH2HPGDTSHR
SCHEMBL4109434 0.78 SLC6A4 (1.00) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL17868819 0.77 SLC6A2 (0.57) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL4291607 0.77 SLC6A4 (0.50) SLC6A4SLC6A2KCNH2SLC6A3HPGD
SCHEMBL10107578 0.76 KDM4E (0.60) KCNH2TSHRHTR2COPRM1
SCHEMBL3809371 0.76 SLC6A4 (0.51) SLC6A4SLC6A2KCNH2SLC6A3HPGD

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
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-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
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 SLC6A4 4401/4885SLC6A2 4206/4885KCNH2 4104/4885

“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.