SCHEMBL19969485

SCHEMBL19969485

CSCCN1CCC2(CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
ADRA1B P35368 1/20 0.38
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL7238745 0.78 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2ALOX15
SCHEMBL10061913 0.75
SCHEMBL23074891 0.75 NOS3 (0.36)
SCHEMBL31194972 0.75 ALOX15 (0.38) ALDH1A1TSHRALOX15
SCHEMBL19969935 0.73 HTR1A (0.39) HTR1AADRA1BCYP1A2CYP2D6ALOX15
SCHEMBL31194974 0.73 POLB (0.41) ALDH1A1TSHRALOX15
SCHEMBL31194969 0.73 POLB (0.41) ALDH1A1TSHRALOX15
SCHEMBL11605309 0.72 KMT2A (0.41) HTR1AADRA1BALDH1A1CYP1A2CYP2D6
SCHEMBL11605451 0.72 HTR1A (0.45) HTR1AADRA1BALDH1A1TSHRCYP1A2
SCHEMBL11607837 0.72 HTR1A (0.45) HTR1AADRA1BALDH1A1TSHRCYP1A2

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-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 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-20180072677-A1 Peptidomimetics and Methods of Using the Same OPRM1, OPRL1, OPRD1 HTR1A 226/4885ADRA1B 113/4885ALDH1A1 1575/4885

“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.