SCHEMBL13438554

SCHEMBL13438554

CNCCN1C[C@@H]2CCC[C@@H]2c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.41
CARM1 Q86X55 8/20 0.38
PRMT6 Q96LA8 8/20 0.38
SIGMAR1 Q99720 8/20 0.38
HTT P42858 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NFKB1 P19838 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL13438562 0.84 MTNR1A (0.43) HTTMAPK1KDM4EALDH1A1LMNA
SCHEMBL13438553 0.82 SIGMAR1 (0.37) HRH1SIGMAR1HTTHTR2CKDM4E
SCHEMBL8266687 0.77 KDM4E (0.45) HTTCHRM2CHRM1CHRM3KDM4E
SCHEMBL2982482 0.76 SIGMAR1 (0.43) HRH1SIGMAR1HTTHTR2CKDM4E
SCHEMBL2979728 0.76 SIGMAR1 (0.45) SIGMAR1DRD2DRD3ALDH1A1
SCHEMBL17075090 0.68 SIGMAR1 (0.37) CARM1PRMT6SIGMAR1KCNH2ALDH1A1
SCHEMBL17075097 0.65 SIGMAR1 (0.45) SIGMAR1CYP1A2CYP3A4CYP2D6DRD2
SCHEMBL12938774 0.65 SRD5A1 (0.45) HRH1
SCHEMBL4612112 0.64 HTR2A (0.41) HRH1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8268501 0.62 KDM1A (0.42) HTTKDM4EALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671196-B2 Diazepinoquinolines, synthesis thereof, and intermediates thereto WYETH LLC (US) 2010-03-02 US disclosed
US-20070088022-A1 Tetrahydroquinolines, synthesis thereof, and intermediates thereto WYETH (US) 2007-04-19 US disclosed
US-20070027142-A1 Diazepinoquinolines, synthesis thereof, and intermediates thereto WYETH (US) 2007-02-01 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 (2 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-20070088022-A1 Tetrahydroquinolines, synthesis thereof, and intermediates thereto HTR2C, HTR3B, HTR2A HRH1 239/4885CARM1 2931/4885PRMT6 3519/4885
US-20070027142-A1 Diazepinoquinolines, synthesis thereof, and intermediates thereto HTR2C, HTR3B, HTR2A HRH1 92/4885CARM1 2650/4885PRMT6 4070/4885

“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.