SCHEMBL3374401

SCHEMBL3374401

CN(Cc1ccccc1)[C]1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 1/20 0.52
AOC3 Q16853 1/20 0.48
TAAR1 Q96RJ0 1/20 0.45
HRH3 Q9Y5N1 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SLC18A3 Q16572 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL25397829 0.98 TSHR (0.50) TSHRALDH1A1AOC3TAAR1HRH3
SCHEMBL3375286 0.91 TSHR (0.56) TSHRALDH1A1AOC3TAAR1CARM1
SCHEMBL3373133 0.78 TSHR (0.47) TSHRALDH1A1AOC3TAAR1HRH3
SCHEMBL9433544 0.77 TSHR (0.45) TSHRALDH1A1AOC3TAAR1HRH3
SCHEMBL23064545 0.77 TSHR (0.45) TSHRALDH1A1AOC3TAAR1HRH3
SCHEMBL3375956 0.76 TSHR (0.60) TSHRALDH1A1AOC3LMNAKDM4E
SCHEMBL3376641 0.73 TSHR (0.47) TSHRALDH1A1AOC3HRH3CARM1
SCHEMBL642317 0.73 CRHBP (0.61) TSHRALDH1A1AOC3TAAR1CARM1
SCHEMBL11881187 0.73 NR1H2 (0.62) TSHRALDH1A1AOC3TAAR1CARM1
SCHEMBL10054994 0.73 CRHBP (0.67) TSHRALDH1A1AOC3TAAR1CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI TSHR 1622/4885ALDH1A1 517/4885AOC3 928/4885

“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.