SCHEMBL17868274

SCHEMBL17868274

c1ccc(-c2[nH]nc3c2CN(CC2CC2c2ccccc2)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.47
DRD4 P21917 17/20 0.47

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
SCHEMBL17868276 0.73 HRH3 (0.47)
SCHEMBL10820260 0.66 DRD2 (0.65) DRD2DRD4
SCHEMBL19262539 0.66 DRD2 (0.69) DRD2DRD4
SCHEMBL22335162 0.66 DRD2 (0.69) DRD2DRD4
SCHEMBL6925295 0.66 DRD2 (0.69) DRD2DRD4
SCHEMBL445421 0.66 DRD2 (0.69) DRD2DRD4
SCHEMBL7292211 0.65 DRD2 (0.49) DRD2DRD4
SCHEMBL13898517 0.64 CCR5 (0.60) DRD2DRD4
SCHEMBL3892595 0.64 CCR5 (0.60) DRD2DRD4
SCHEMBL18926528 0.63 DHFR (0.51)

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
US-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 US disclosed
EP-3240787-A2 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Novira Therapeutics Inc. (US) 2017-11-08 EP disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 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-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS DRD2 4709/4885DRD4 4502/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS DRD2 4709/4885DRD4 4502/4885

“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.