SCHEMBL2280754

SCHEMBL2280754

C[C@@H]1[C@@H](O)CN1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
FUCA1 P04066 2/20 0.53
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
GBA1 P04062 1/20 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
SCHEMBL2280757 1.00 MAPT (0.63) MAPTFUCA1DRD2DRD3GBA1
SCHEMBL2282579 1.00 MAPT (0.63) MAPTFUCA1DRD2DRD3GBA1
SCHEMBL5744287 0.91 MAPT (0.54) MAPTFUCA1DRD2DRD3GBA1
SCHEMBL17426076 0.89 MAPT (0.59) MAPTFUCA1DRD2DRD3GBA1
SCHEMBL17426073 0.89 MAPT (0.59) MAPTFUCA1DRD2DRD3GBA1
SCHEMBL16024846 0.89 MAPT (0.59) MAPTFUCA1DRD2DRD3GBA1
SCHEMBL19034817 0.82 MAPT (0.52) MAPTFUCA1DRD2DRD3GBA1
SCHEMBL18479257 0.82 GBA1 (0.60) MAPTFUCA1GBA1
SCHEMBL3609150 0.82 GBA1 (0.60) MAPTFUCA1GBA1
SCHEMBL5744903 0.82 MAPT (0.46) MAPTDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981909-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 US disclosed
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-8642583-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-02-04 US disclosed
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 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 (3 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-20140038943-A1 SEROTONIN RECEPTOR MODULATOR HTR2C, HTR2A, HTR1A MAPT 2490/4885FUCA1 3703/4885DRD2 168/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A MAPT 2411/4885FUCA1 3645/4885DRD2 172/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C MAPT 2509/4885FUCA1 2377/4885DRD2 232/4885

“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.