SCHEMBL21790486

SCHEMBL21790486

CCc1[nH]c2ccccc2c1CCI

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA7 P36544 1/20 0.53
CHRNA4 P43681 1/20 0.53
BCHE P06276 1/20 0.49
HTR2A P28223 4/20 0.44
HTR2C P28335 4/20 0.44
HTR6 P50406 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 2/20 0.44
DRD2 P14416 1/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
POLB P06746 1/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTNR1A P48039 1/20 0.42

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
SCHEMBL14193990 0.86 CHRNB2 (0.64) CHRNB2CHRNA7CHRNA4BCHEHTR2A
SCHEMBL6882102 0.85 HTT (0.55) CHRNB2CHRNA7CHRNA4BCHEHTR2A
Water SCHEMBL11540986 0.83 HTT (0.53) CHRNB2CHRNA7CHRNA4BCHEHTR2A
SCHEMBL3886866 0.83 HTR6 (0.63) CHRNB2CHRNA7CHRNA4BCHEHTR2A
Hydrochloric Acid SCHEMBL275390 0.81 HTR6 (0.61) CHRNB2CHRNA7CHRNA4BCHEHTR2A
SCHEMBL11415261 0.81 KDM4E (0.56) CHRNB2CHRNA7CHRNA4BCHEHTR6
SCHEMBL27361702 0.79 CHRNB2 (0.49) CHRNB2CHRNA7CHRNA4BCHEHTR2A
SCHEMBL22132140 0.79 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4BCHEHTR2A
SCHEMBL5459223 0.79 ALDH1A1 (0.50) CHRNB2CHRNA7CHRNA4BCHEHTR6
SCHEMBL20281778 0.77 CHRNB2 (0.71) CHRNB2CHRNA7CHRNA4BCHEHTR2A

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-10934270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2021-03-02 US disclosed
US-20200071292-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2020-03-05 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 (2 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-10934270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GAA, GBA2 CHRNB2 957/4885CHRNA7 916/4885CHRNA4 920/4885
US-20200071292-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GAA, GBA2 CHRNB2 957/4885CHRNA7 916/4885CHRNA4 920/4885

“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.