SCHEMBL10107608

SCHEMBL10107608

COc1ccccc1C(=O)CN1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.52
NPC1 O15118 1/20 0.49
HTT P42858 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
ADRB1 P08588 1/20 0.48
DRD2 P14416 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
HTR3A P46098 1/20 0.48
HTR6 P50406 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
BRPF1 P55201 1/20 0.46
CTSD P07339 1/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL28399103 0.83 ALDH1A1 (0.42) CHRM3SIGMAR1MAPTALDH1A1KMT2A
SCHEMBL10107605 0.81 ALDH1A1 (0.64) CYP2C19MAPTPOLBGAAALDH1A1
SCHEMBL28271015 0.79 ALDH1A1 (0.48) SIGMAR1MAPTGAAALDH1A1KMT2A
SCHEMBL595000 0.78 HTT (0.72) NPC1HTTCYP2C19DRD3LMNA
SCHEMBL1646834 0.77 ALDH1A1 (0.76) HTTCYP2C19LMNAMAPTPOLB
Hydrochloric Acid SCHEMBL594012 0.77 HTT (0.70) NPC1HTTCYP2C19DRD3LMNA
SCHEMBL11106554 0.76 ALDH1A1 (0.62) HTTCYP2C19LMNAMAPTPOLB
SCHEMBL11847704 0.75 ALDH1A1 (0.55) ADRB1DRD3LMNAGAAALDH1A1
SCHEMBL27547845 0.75 PKM (0.48) HTTLMNAMAPTGAAALDH1A1
SCHEMBL10768471 0.74 LMNA (0.54) ADRB1SIGMAR1LMNAGAAALDH1A1

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 CHRM3 4772/4885NPC1 24/4885HTT 209/4885

“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.