SCHEMBL6540752

SCHEMBL6540752

COc1cccc(F)c1CN1C[C@@H]2CCCN2[C@H](C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GNRHR P30968 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
DRD4 P21917 1/20 0.36
ADRA1A P35348 1/20 0.36
SMO Q99835 1/20 0.36

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
SCHEMBL7194671 1.00 TACR1 (0.45) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7194679 1.00 TACR1 (0.45) TACR1SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL7200288 0.93 TACR1 (0.46) TACR1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL7200284 0.93 TACR1 (0.46) TACR1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6540431 0.93 TACR1 (0.46) TACR1MEN1KMT2AL3MBTL1
SCHEMBL6541661 0.89 TACR1 (0.40) TACR1MEN1KMT2AL3MBTL1
SCHEMBL6540684 0.89 TACR1 (0.42) TACR1MEN1KMT2AL3MBTL1
SCHEMBL7204313 0.89 TACR1 (0.42) TACR1MEN1KMT2AL3MBTL1
SCHEMBL7204308 0.89 TACR1 (0.42) TACR1MEN1KMT2AL3MBTL1
SCHEMBL6541624 0.89 TACR1 (0.40) TACR1MAPK1MEN1KMT2AL3MBTL1

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-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 TACR1 3/4885SLC6A2 1000/4885SLC6A4 309/4885

“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.