SCHEMBL1753373

SCHEMBL1753373

COc1ncccc1C(=O)NCC1CN(Cc2ccccc2)CCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.51
DRD3 P35462 5/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRA2B P18089 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR2B P41595 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNH2 Q12809 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
DRD2 P14416 4/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL14205982 0.88 DRD4 (0.50) DRD4DRD3DRD2ALDH1A1
SCHEMBL16017742 0.79 POLB (0.46) DRD4DRD3MEN1LMNACYP1A2
SCHEMBL1753367 0.78 DRD4 (0.64) DRD4DRD3SIGMAR1DRD2
SCHEMBL1502026 0.78 DRD4 (0.73) DRD4DRD3MEN1LMNACYP1A2
SCHEMBL1502120 0.78 DRD4 (0.59) DRD4DRD3CYP1A2CYP3A4CYP2C9
SCHEMBL2769124 0.77 DRD4 (0.61) DRD4DRD3CYP1A2CYP3A4CYP2C9
SCHEMBL2770194 0.77 DRD4 (0.61) DRD4DRD3CYP1A2CYP3A4CYP2C9
SCHEMBL5429645 0.77 DRD4 (0.61) DRD4DRD3CYP1A2CYP3A4CYP2C9
SCHEMBL16007559 0.77 KDM4E (0.54) DRD4DRD3MEN1LMNACYP1A2
SCHEMBL3361146 0.77 DRD4 (0.63) DRD4DRD3MEN1LMNACYP1A2

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 4420/4885DRD3 4529/4885MEN1 2993/4885

“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.