SCHEMBL18528748

SCHEMBL18528748

[c]1nc2ccccc2nc1C1CCc2ccccc2N1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.35
SMYD3 Q9H7B4 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NOX1 Q9Y5S8 1/20 0.31
AR P10275 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL17714562 0.77 NOX1 (0.33) NOX1
SCHEMBL3172947 0.71 ESR1 (0.34) MTNR1ASMYD3ESR1ESR2AR
SCHEMBL13306192 0.69 ESR1 (0.51) MTNR1ASMYD3ESR1ESR2MAPT
SCHEMBL30124970 0.69 ESR1 (0.51) MTNR1ASMYD3ESR1ESR2MAPT
SCHEMBL5051433 0.69 ESR1 (0.51) MTNR1ASMYD3ESR1ESR2MAPT
SCHEMBL13784817 0.69 ESR1 (0.51) MTNR1ASMYD3ESR1ESR2MAPT
SCHEMBL5248698 0.68 MTNR1A (0.38) MTNR1ASMYD3ESR1ESR2AR
SCHEMBL2590411 0.68 CYP1A2 (0.47) MAPT
SCHEMBL10758515 0.68 AR (0.35) MTNR1ASMYD3ESR1ESR2AR
SCHEMBL19774297 0.68 MTNR1A (0.47) MTNR1ASMYD3MAPT

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-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-23 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-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 MTNR1A 143/4885SMYD3 2502/4885ESR1 2538/4885

“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.