SCHEMBL21169643

SCHEMBL21169643

O=C(CN1CCC(CN2Cc3ccccc3C2O)CC1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.62
HTR1A P08908 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
HTR2C P28335 3/20 0.50
DRD2 P14416 2/20 0.50
HTR2B P41595 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL27565675 0.99 HTR2A (0.61) HTR2AHTR1ATMEM97HTR2CDRD2
SCHEMBL27585564 0.93 HTR2A (0.60) HTR2AHTR1ATMEM97HTR2CDRD2
Hydrochloric Acid SCHEMBL27585384 0.90 HTR2A (0.49) HTR2AHTR1ATMEM97HTR2CKCNH2
Hydrochloric Acid SCHEMBL27565589 0.88 HTR2A (0.53) HTR2AHTR1ATMEM97HTR2CDRD2
Hydrochloric Acid SCHEMBL27565603 0.88 HTR2A (0.53) HTR2AHTR1ATMEM97HTR2CDRD2
Hydrochloric Acid SCHEMBL27565660 0.88 HTR1A (0.48) HTR2AHTR1ATMEM97ALDH1A1MEN1
Hydrochloric Acid SCHEMBL27565601 0.88 HTR1A (0.48) HTR2AHTR1ATMEM97HTR2CDRD2
Hydrochloric Acid SCHEMBL27565647 0.87 KDM4E (0.58) HTR2AHTR1ADRD2HTR2BKCNH2
SCHEMBL27565654 0.87 HTR2A (0.59) HTR2AHTR1ATMEM97HTR2CDRD2
Hydrochloric Acid SCHEMBL28747789 0.85 HTR2A (0.50) HTR2AHTR1ATMEM97HTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190216793-A1 COMPOSITIONS AND METHODS FOR TREATING NEGATIVE SYMPTOMS IN NON-SCHIZOPHRENIC PATIENTS MINERVA NEUROSCIENCES, INC. 2019-07-18 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-20190216793-A1 COMPOSITIONS AND METHODS FOR TREATING NEGATIVE SYMPTOMS IN NON-SCHIZOPHRENIC PATIENTS GBA2, SLC6A3, COMT HTR2A 163/4885HTR1A 172/4885TMEM97 2709/4885

“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.