SCHEMBL1807345

SCHEMBL1807345

CN1CCC2CN(C(=O)O)CC2c2cccc(Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSD11B1 P28845 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CNR1 P21554 1/20 0.34
LIPE Q05469 1/20 0.34
P2RX7 Q99572 3/20 0.34
HRH4 Q9H3N8 1/20 0.34
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL1807343 1.00 NOTUM (0.42) NOTUMMAPTKDM4EMEN1ALDH1A1
SCHEMBL1807341 1.00 NOTUM (0.42) NOTUMMAPTKDM4EMEN1ALDH1A1
SCHEMBL1805148 0.80 HTR2A (0.40) NOTUMMAPTKDM4EMEN1ALDH1A1
SCHEMBL1805150 0.80 HTR2A (0.40) NOTUMMAPTKDM4EMEN1ALDH1A1
SCHEMBL1805149 0.80 HTR2A (0.40) NOTUMMAPTKDM4EMEN1ALDH1A1
SCHEMBL4481488 0.74 ALDH1A1 (0.34) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL1806294 0.74 F12 (0.39) NOTUMMAPTHSD11B1CNR1LIPE
SCHEMBL1806296 0.74 F12 (0.39) NOTUMMAPTHSD11B1CNR1LIPE
SCHEMBL2598922 0.74 ADRA2A (0.39) NOTUMHSD11B1CNR1P2RX7ATM
SCHEMBL1806059 0.74 ADRA2A (0.39) NOTUMHSD11B1CNR1P2RX7ATM

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
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C NOTUM 3613/4885MAPT 3274/4885KDM4E 1480/4885

“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.