SCHEMBL4238741

SCHEMBL4238741

N#Cc1cc(F)c(N2CCCNCC2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
SOS1 Q07889 1/20 0.39
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
HTR2B P41595 3/20 0.39
HTR3A P46098 3/20 0.39
HTR6 P50406 3/20 0.39
HTR1D P28221 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
HTR2A P28223 1/20 0.39
OPRL1 P41146 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38

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
SCHEMBL30073656 0.94 ALDH1A1 (0.75) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL8295259 0.94 ALDH1A1 (0.75) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL20140512 0.83 ALDH1A1 (0.68) ALDH1A1MAPTLMNAGAASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3919226 0.82 ALDH1A1 (0.60) ALDH1A1MAPTLMNAGAASMN1; SMN2
Hydrochloric Acid SCHEMBL20140912 0.81 ALDH1A1 (0.66) ALDH1A1MAPTLMNAGAASMN1; SMN2
Hydrochloric Acid SCHEMBL20140001 0.81 ALDH1A1 (0.66) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL25629584 0.79 ALDH1A1 (0.52) ALDH1A1MAPTLMNAGAASMN1; SMN2
Hydrochloric Acid SCHEMBL31720538 0.78 ALDH1A1 (0.51) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL8433491 0.77 ALDH1A1 (0.64) ALDH1A1MAPTLMNAHTR7HTR3A
SCHEMBL8437165 0.77 ALDH1A1 (0.64) ALDH1A1MAPTLMNAGAASMN1; SMN2

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R ALDH1A1 4542/4885MAPT 1398/4885LMNA 2227/4885

“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.