SCHEMBL6541701

SCHEMBL6541701

c1ccc(C(c2ccccc2)[C@@H]2CN(Cc3cccc4c3OCO4)C[C@@H]3CCCN32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.44
FAAH O00519 1/20 0.44
POLB P06746 1/20 0.42
EED O75530 2/20 0.41
PDE2A O00408 1/20 0.41
RECQL P46063 1/20 0.41
MCHR1 Q99705 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRA2A P08913 4/20 0.35
ADRA2B P18089 4/20 0.35
ADRA2C P18825 4/20 0.35
NPC1 O15118 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
Hydrochloric Acid SCHEMBL6541548 0.84 JAK2 (0.37) L3MBTL1
Hydrochloric Acid SCHEMBL6540861 0.80 TACR1 (0.39) LMNAMEN1ALDH1A1KMT2ANPC1
SCHEMBL7193865 0.78 KDM4E (0.48) MEN1KMT2ATACR1
SCHEMBL6540443 0.78 KMT2A (0.37) L3MBTL1LMNAPOLBSMN1; SMN2MEN1
SCHEMBL6540050 0.78 KDM4E (0.48) MEN1KMT2ATACR1
SCHEMBL7193869 0.78 KDM4E (0.48) MEN1KMT2ATACR1
Hydrochloric Acid SCHEMBL6541085 0.77 KDM4E (0.51) L3MBTL1POLBGAAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6541378 0.77 TACR1 (0.47) ALDH1A1NPSR1TACR1
SCHEMBL6541358 0.77 PLA2G1B (0.36) LMNAPOLBMEN1ALDH1A1MAPT
SCHEMBL7201086 0.76 MEN1 (0.43) MEN1KMT2ATACR1

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 L3MBTL1 1817/4885LMNA 3930/4885FAAH 1103/4885

“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.