SCHEMBL627090

SCHEMBL627090

N#CCC1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.50
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
BCHE P06276 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ACHE P22303 1/20 0.42
ADRA1A P35348 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
IDO1 P14902 2/20 0.42
PDPK1 O15530 1/20 0.42
RET P07949 1/20 0.40
HTR2A P28223 1/20 0.40
CYP11B2 P19099 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
SCHEMBL627175 0.89 CYP19A1 (0.46) IDO1
SCHEMBL31028082 0.89 CYP19A1 (0.46) IDO1
SCHEMBL11729706 0.88 HTR6 (0.43) HTR6IDO1
SCHEMBL833048 0.81 HTR6 (0.50) HTR6MAOAMAOBBCHEADRA2B
SCHEMBL16061146 0.81 HTR2A (0.42) MAOAMAOBMTNR1AMTNR1BHTR2A
SCHEMBL3104608 0.79 HTR6 (0.54) HTR6MAOAMAOBBCHEADRA2B
SCHEMBL27488330 0.76 HTR6 (0.56) HTR6MAOAMAOBBCHEADRA2B
SCHEMBL10929426 0.76 DRD2 (0.47) HTR6MAOAMAOBBCHEADRA2B
SCHEMBL8348479 0.76 SRD5A1 (0.40) HTR6CYP11B2
SCHEMBL13092074 0.76 HTR6 (0.42) HTR6ADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546047-B Preparation method of cyclic chiral nitrile compound and application of cyclic chiral nitrile compound in preparation of ramelteon 北京师范大学 2025-02-07 CN disclosed
CN-118546047-A Preparation method of cyclic chiral nitrile compound and application of cyclic chiral nitrile compound in preparation of ramelteon 北京师范大学 2024-08-27 CN disclosed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 HTR6 408/4885MAOA 4354/4885MAOB 4067/4885

“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.