SCHEMBL20186486

SCHEMBL20186486

C#CCCC1NCCc2c1[nH]c1ccc(OC)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.64
CHRM4 P08173 3/20 0.64
DRD2 P14416 3/20 0.64
HTR2B P41595 4/20 0.62
MAPT P10636 2/20 0.62
ALDH1A1 P00352 1/20 0.62
KMT2A Q03164 2/20 0.59
MAPKAPK2 P49137 3/20 0.56
MAPKAPK5 Q8IW41 1/20 0.56
HTR2A P28223 9/20 0.53
HTR2C P28335 9/20 0.53
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PSMD14 O00487 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
HTR1A P08908 1/20 0.48
DRD4 P21917 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48

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
SCHEMBL14043228 0.86 HTR7 (0.71) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL20186860 0.85 HTR7 (0.59) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL31639048 0.85 HTR7 (0.67) HTR7CHRM4DRD2HTR2BMAPT
Bromide SCHEMBL6569631 0.85 HTR7 (0.70) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL20186853 0.83 HTR2A (0.72) HTR2BMAPKAPK2HTR2AHTR2C
SCHEMBL5541281 0.82 HTR7 (0.70) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL6240399 0.82 HTR7 (0.70) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL6237647 0.82 HTR7 (0.66) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL23116691 0.81 HTR7 (0.67) HTR7CHRM4DRD2HTR2BMAPT
SCHEMBL18201330 0.80 GRIN2B (0.62) HTR7CHRM4DRD2MAPKAPK2HTR2A

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
EP-3288921-B1 POLYCYCLIC INDOLINE AND INDOLENINE COMPOUNDS UNIV COLORADO REGENTS (US) 2022-06-15 EP disclosed
US-10253024-B2 Polycyclic indoline and indolenine compounds THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-04-09 US disclosed
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-05-31 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-10253024-B2 Polycyclic indoline and indolenine compounds IDO1, IDO2, INMT HTR7 125/4885CHRM4 2641/4885DRD2 90/4885
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds IDO1, IDO2, INMT HTR7 125/4885CHRM4 2641/4885DRD2 90/4885

“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.