SCHEMBL9895010

SCHEMBL9895010

O=S(=O)(NCCN1CCNCC1)c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 0.65
POLB P06746 1/20 0.63
ALDH1A1 P00352 2/20 0.62
HTR1A P08908 3/20 0.61
ADRA2A P08913 2/20 0.61
HTR6 P50406 4/20 0.58
HTR2A P28223 3/20 0.58
DRD2 P14416 2/20 0.58
PKM P14618 1/20 0.56
HTR2C P28335 2/20 0.54

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
SCHEMBL10194535 0.93 POLB (0.74) HTR7POLBHTR1AADRA2AHTR6
SCHEMBL6340577 0.88 HTR7 (0.70) HTR7POLBALDH1A1HTR1AADRA2A
SCHEMBL6337236 0.87 HTR7 (0.68) HTR7POLBALDH1A1HTR1AADRA2A
SCHEMBL29172771 0.84 HTR7 (0.60) HTR7ALDH1A1HTR6PKM
SCHEMBL24069077 0.82 HTR7 (0.87) HTR7POLBALDH1A1HTR1AADRA2A
SCHEMBL25758471 0.81 HTR7 (0.60) HTR7POLBALDH1A1HTR1AADRA2A
SCHEMBL6338842 0.81 POLB (0.80) HTR7POLBHTR1AADRA2AHTR6
SCHEMBL29991400 0.80 KMT2A (0.62) HTR7POLBALDH1A1HTR1AHTR6
SCHEMBL6341348 0.80 POLB (0.74) HTR7POLBHTR1AADRA2AHTR6
SCHEMBL7426154 0.79 HTR7 (0.61) HTR7POLBALDH1A1HTR1AADRA2A

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-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRANSPOSAGEN BIOPHARMACEUTICALS, INC. (US) 2012-06-14 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-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRPC4, TRPC1, TRPC3 HTR7 805/4885POLB 4356/4885ALDH1A1 4359/4885

“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.