SCHEMBL3696754

SCHEMBL3696754

CC(Br)C(O)C[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SLC22A16 Q86VW1 1/20 0.36
TSHR P16473 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
TBXA2R P21731 1/20 0.34
LMNA P02545 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C9 P11712 1/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6666440 0.80 MAPT (0.37) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL13158755 0.77 MAPT (0.39) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL9237452 0.73
SCHEMBL3686616 0.72 MAPT (0.36) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL1149412 0.72 MAPT (0.36) MAPTSLC22A16TSHRCHRM2CHRM4
Hydrochloric Acid SCHEMBL8056355 0.71
SCHEMBL193840 0.69
SCHEMBL9748138 0.69
SCHEMBL9748670 0.69
SCHEMBL9393610 0.69 MAPT (0.42) MAPTSLC22A16TSHRCHRM2CHRM4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551445-B2 Preparation and use of alkylating agents THE QUEEN'S MEDICAL CENTER (US) 2013-10-08 US disclosed
US-8554373-B2 Preparation and use of alkylating agents THE QUEEN'S MEDICAL CENTER (US) 2013-10-08 US disclosed
US-7776309-B2 Preparation and use of alkylating agents THE QUEEN'S MEDICAL CENTER (US) 2010-08-17 US disclosed
US-20080294289-A1 Preparation and Use of Alkylating Agents THE QUEEN'S MEDICAL CENTER (US) 2008-11-27 US disclosed
EP-1660433-A2 PREPARATION AND USE OF ALKYLATING AGENTS The Queen's Medical Center (US) 2006-05-31 EP disclosed
US-20050123475-A1 Preparation and use of alkylating agents THE QUEEN'S MEDICAL CENTER 2005-06-09 US disclosed
WO-2005009928-A2 PREPARATION AND USE OF ALKYLATING AGENTS THE QUEEN'S MEDICAL CENTER (US) 2005-02-03 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-20050123475-A1 Preparation and use of alkylating agents MGMT, MCL1, TOP2A MAPT 4689/4885SLC22A16 3432/4885TSHR 3094/4885

“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.