SCHEMBL3396567

SCHEMBL3396567

COc1ccc2c(c1)CCN[C@@H](C)[C@H]2O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.57
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
KDM1A O60341 1/20 0.50
HTR2A P28223 1/20 0.48
HTR2B P41595 1/20 0.48
MAOA P21397 5/20 0.47
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GID4 Q8IVV7 1/20 0.43
CYP19A1 P11511 1/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43

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 SCHEMBL16056129 0.82 HTR2C (0.56) HTR2CCA1CA2CA7CA9
SCHEMBL30932908 0.81 HTR2C (0.63) HTR2CCA1CA2CA7CA9
SCHEMBL1010205 0.81 HTR2C (0.63) HTR2CCA1CA2CA7CA9
Hydrochloric Acid SCHEMBL9433620 0.80 MAOA (0.62) HTR2CCA1CA2CA7CA9
SCHEMBL3394954 0.79 GRIN1 (0.47) HTR2CHTR2AGRIN1GRIN2B
SCHEMBL3392271 0.79 GRIN1 (0.47) HTR2CHTR2AGRIN1GRIN2B
SCHEMBL3396559 0.79 GRIN1 (0.47) HTR2CHTR2AGRIN1GRIN2B
SCHEMBL629387 0.77 HTR2C (0.50) HTR2CHSD17B10CYP19A1
SCHEMBL2792386 0.76 PRCP (0.57) HTR2CCA1CA2CA7CA9
SCHEMBL16057217 0.75 TSHR (0.56) HTR2CCA1CA2CA7CA9

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
US-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES WESTFALISCHE WILHELMS-UNIVERSITAT MUNSTER (DE) 2018-09-06 US disclosed
EP-3344257-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2018-07-11 EP disclosed
WO-2017036880-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2017-03-09 WO disclosed
EP-2246331-A1 NR2B-selective NMDA-receptor antagonists Westfälische Wilhelms-Universität Münster (DE) 2010-11-03 EP disclosed
EP-2246331-A1 NR2B-selective NMDA-receptor antagonists Westfälische Wilhelms-Universität Münster (DE) 2010-11-03 EP disclosed
WO-2010122134-A1 NR2B-SELECTIVE NMDA-RECEPTOR ANTAGONISTS Westfälische Wilhelms Universität Münster (DE) 2010-10-28 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-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES GRIN1, GRIN2B, GRIN3B HTR2C 830/4885CA1 1009/4885CA2 3189/4885

“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.