SCHEMBL6540693

SCHEMBL6540693

COc1cc(CN2C[C@@H]3CCCN3[C@H](C(c3ccccc3)c3ccccc3)C2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.45
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
CCR5 P51681 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
Hydrochloric Acid SCHEMBL6541744 0.87 TACR1 (0.39) TACR1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7197850 0.87 TACR1 (0.39) TACR1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7197854 0.87 TACR1 (0.39) TACR1MEN1KMT2AALDH1A1
SCHEMBL6540204 0.86 TACR1 (0.42) TACR1MEN1KMT2A
SCHEMBL6541486 0.84 MAPT (0.51) TACR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7200483 0.83 TACR1 (0.37) TACR1LMNAMEN1KMT2AALDH1A1
SCHEMBL7200487 0.83 TACR1 (0.37) TACR1LMNAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6541816 0.83 TACR1 (0.50) TACR1LMNAMAPK1TDP1MEN1
Hydrochloric Acid SCHEMBL6540428 0.83 MAPT (0.50) TACR1MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7194013 0.83 MAPT (0.50) TACR1MEN1KMT2AKDM4EALDH1A1

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 3/4885LMNA 3930/4885MAPK1 960/4885

“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.