SCHEMBL19409649

SCHEMBL19409649

CC1(C2CCNCC2)Cc2cc(F)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.38
HTR2A P28223 2/20 0.35
KDM1A O60341 2/20 0.34
DRD2 P14416 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
AKR1B1 P15121 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR2B P41595 1/20 0.32

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 SCHEMBL19409565 0.99 HTR2C (0.37) HTR2CHTR2AKDM1ADRD2MKNK1
SCHEMBL2589530 0.83 PNMT (0.36) HTR2CHTR2ASLC6A4HTR2B
SCHEMBL19030789 0.79 HIF1A (0.36) HTR2CHTR2AKDM1ADRD2AKR1B1
SCHEMBL21985303 0.75 HTR2C (0.42) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL19409643 0.72 HRH3 (0.44)
SCHEMBL15724661 0.72 AKR1B1 (0.46) HTR2ADRD2AKR1B1
SCHEMBL3859304 0.72 HTR2C (0.49) HTR2CHTR2ADRD2
SCHEMBL30529385 0.72 HTR2C (0.49) HTR2CHTR2ADRD2
Hydrochloric Acid SCHEMBL4214755 0.71 HTR2C (0.48) HTR2CHTR2ADRD2
Bromide SCHEMBL5772502 0.71 HTR2C (0.48) HTR2CHTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715613-B Heterocyclic compounds 武田药品工业株式会社 2021-07-30 CN disclosed
EP-3436444-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-05-13 EP disclosed
US-10323026-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-18 US disclosed
EP-3436444-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 EP disclosed
WO-2017171100-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-05 WO disclosed
US-20170283406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-05 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-20170283406-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE HTR2C 572/4885HTR2A 826/4885KDM1A 2299/4885
US-10323026-B2 Heterocyclic compound MAG, HTT, ACHE HTR2C 572/4885HTR2A 826/4885KDM1A 2299/4885

“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.