SCHEMBL5811952

SCHEMBL5811952

Cc1ccccc1C1NCC2CC1CN(Cc1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
FUCA1 P04066 2/20 0.38
KDM1A O60341 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CXCR3 P49682 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GRIN2B Q13224 2/20 0.36

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
SCHEMBL5747922 0.86 DRD2 (0.46) DRD2DRD3FUCA1
SCHEMBL6311586 0.84 KDM1A (0.47) DRD2DRD3FUCA1KDM1ASIGMAR1
SCHEMBL6318835 0.84 DRD2 (0.43) DRD2DRD3FUCA1KDM1ASIGMAR1
SCHEMBL6326281 0.80 FUCA1 (0.43) DRD2DRD3FUCA1KDM1ASIGMAR1
SCHEMBL2803299 0.77 DRD2 (0.41) DRD2DRD3FUCA1SIGMAR1
SCHEMBL13201180 0.77 DRD2 (0.41) DRD2DRD3FUCA1SIGMAR1
SCHEMBL13196701 0.77 DRD2 (0.41) DRD2DRD3FUCA1SIGMAR1
SCHEMBL1711734 0.75 FUCA1 (0.49) FUCA1SIGMAR1
SCHEMBL5746618 0.74 HSD11B1 (0.46) DRD2DRD3FUCA1POLBGRIN2B
SCHEMBL6317794 0.72 FUCA1 (0.51) FUCA1SIGMAR1

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-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP disclosed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US disclosed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 WO 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 DRD2 701/4885DRD3 948/4885FUCA1 1568/4885

“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.