SCHEMBL1753490

SCHEMBL1753490

COc1ccccc1C(=O)NC1CCNC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.55
MAPK1 P28482 1/20 0.53
OPRK1 P41145 1/20 0.53
KMT2A Q03164 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CTSD P07339 1/20 0.50
HTR4 Q13639 1/20 0.50
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CDK2 P24941 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL593297 0.92 HTR4 (0.58) KMT2ATAS1R3TAS1R1TAS1R2MEN1
Hydrochloric Acid SCHEMBL594135 0.90 HTR4 (0.57) KMT2ATAS1R3TAS1R1TAS1R2MEN1
SCHEMBL1753596 0.87 RAB9A (0.55) MAPK1OPRK1KMT2ATAS1R3TAS1R1
SCHEMBL28598280 0.86 USP2 (0.58) OPRK1KMT2AMEN1
SCHEMBL28598281 0.86 USP2 (0.58) OPRK1KMT2AMEN1
SCHEMBL5482447 0.85 RAB9A (0.56) KMT2ATAS1R3TAS1R1TAS1R2MEN1
SCHEMBL2542357 0.84 TAS1R3 (0.68) KMT2ATAS1R3TAS1R1TAS1R2MEN1
SCHEMBL7300279 0.83 MEN1 (0.51) KMT2AMEN1CTSDHTR4
SCHEMBL10107504 0.82 HTR3A (0.63) KMT2AMEN1RAB9ANPC1CTSD
SCHEMBL10122269 0.82 HTR3A (0.63) KMT2AMEN1RAB9ANPC1CTSD

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-8158783-B2 MTP inhibiting tetrahydro-naphthalene-1-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-8158783-B2 MTP inhibiting tetrahydro-naphthalene-1-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-21 US disclosed
US-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-21 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-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES PNLIP, APOB, MTPN DRD4 4420/4885MAPK1 2575/4885OPRK1 3366/4885

“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.