SCHEMBL5457655

SCHEMBL5457655

Nc1ccc2[nH]cc(C3CCN(CC(O)C4CCNCC4)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.57
HTR1B P28222 6/20 0.57
KMT2A Q03164 1/20 0.47
CCR2 P41597 2/20 0.45
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
THPO P40225 1/20 0.43
APP P05067 1/20 0.42
ADRB2 P07550 1/20 0.41
HTR2C P28335 1/20 0.41
CHRM2 P08172 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL5367805 0.86 HTR1D (0.53) HTR1DHTR1BKMT2ACCR2OPRM1
SCHEMBL5326779 0.85 KMT2A (0.65) KMT2ACYP2D6ADRB2HTR2C
SCHEMBL5353061 0.82 HTR1D (0.64) HTR1DHTR1BCHRM2DRD2
SCHEMBL5328392 0.80 OPRM1 (0.46) HTR1DHTR1BKMT2ACCR2OPRM1
SCHEMBL7482397 0.79 HTR1D (0.68) HTR1DHTR1BCCR2CYP1A2CYP3A4
SCHEMBL7489311 0.77 HTR1D (0.74) HTR1DHTR1BOPRM1OPRK1OPRL1
SCHEMBL427406 0.73 HTR1D (1.00) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL5457649 0.73 KMT2A (0.64) KMT2ACYP2D6DRD2
Hydrochloric Acid SCHEMBL27483631 0.72 HTR1D (0.97) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7485776 0.72 HTR1D (0.97) HTR1DHTR1BCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 HTR1D 804/4885HTR1B 680/4885KMT2A 2990/4885

“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.