SCHEMBL171013

SCHEMBL171013

CC[C@H](c1ccccc1)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.48
HRH1 P35367 4/20 0.48
LMNA P02545 2/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
AOC3 Q16853 3/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
OPRM1 P35372 2/20 0.41
CCR5 P51681 1/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL119104 1.00 HTR2A (0.48) HTR2AHRH1LMNACHRNB2CHRNB4
SCHEMBL8926699 1.00 HTR2A (0.48) HTR2AHRH1LMNACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL235622 0.98 TDP1 (0.50) HTR2AHRH1LMNACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL18378384 0.98 TDP1 (0.50) HTR2AHRH1LMNACHRNB2CHRNB4
Bromide SCHEMBL4071099 0.98 HTR2A (0.46) HTR2AHRH1LMNACHRNB2CHRNB4
Iodide SCHEMBL10962372 0.98 HTR2A (0.46) HTR2AHRH1LMNACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL14762879 0.98 TDP1 (0.50) HTR2AHRH1LMNACHRNB2CHRNB4
Water SCHEMBL27613449 0.98 HTR2A (0.46) HTR2AHRH1LMNACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL8067968 0.96 TDP1 (0.48) HTR2AHRH1LMNACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL28230488 0.96 TDP1 (0.48) HTR2AHRH1LMNACHRNB2CHRNB4

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-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP 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-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 HTR2A 4599/4885HRH1 1000/4885LMNA 2339/4885

“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.