SCHEMBL6318835

SCHEMBL6318835

Cc1ccccc1C1NCC2CN(Cc3ccccc3)CC21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
FUCA1 P04066 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GRIN2B Q13224 2/20 0.36
KDM1A O60341 1/20 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
SCHEMBL2803299 0.88 DRD2 (0.41) DRD2DRD3FUCA1SIGMAR1
SCHEMBL13201180 0.88 DRD2 (0.41) DRD2DRD3FUCA1SIGMAR1
SCHEMBL13196701 0.88 DRD2 (0.41) DRD2DRD3FUCA1SIGMAR1
SCHEMBL6309643 0.86 DRD2 (0.47) DRD2DRD3FUCA1GRIN2B
SCHEMBL5811952 0.84 DRD2 (0.42) DRD2DRD3FUCA1SIGMAR1LMNA
SCHEMBL6312037 0.82 KDM1A (0.46) DRD2DRD3FUCA1SIGMAR1GRIN2B
SCHEMBL25391591 0.78 FUCA1 (0.45) DRD2DRD3FUCA1SIGMAR1GRIN2B
SCHEMBL20471517 0.78 FUCA1 (0.45) DRD2DRD3FUCA1SIGMAR1GRIN2B
Hydrochloric Acid SCHEMBL22076642 0.77 FUCA1 (0.44) DRD2DRD3FUCA1SIGMAR1GRIN2B
SCHEMBL705179 0.72 FUCA1 (0.47) DRD2DRD3FUCA1SIGMAR1GRIN2B

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-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-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.