SCHEMBL15310084

SCHEMBL15310084

Cc1ccc(C#N)nc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SOS2 Q07890 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CAMKK2 Q96RR4 1/20 0.34
NQO1 P15559 1/20 0.34
F11 P03951 1/20 0.33
CTSB P07858 2/20 0.33
SRC P12931 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL17712893 0.81 NPSR1 (0.44) KDM4EHSD17B10ALDH1A1SMN1; SMN2NQO1
SCHEMBL25010840 0.79 MEN1 (0.42) HSD17B10SOS2ALDH1A1MAPTSMN1; SMN2
SCHEMBL838145 0.79 ALDH1A1 (0.41) KDM4EALOX15SOS2ALDH1A1MAPT
SCHEMBL2160647 0.78 MAP2K3 (0.38) PIN1KDM4ESOS2ALDH1A1MAPT
SCHEMBL23058776 0.78 SOS2 (0.36) SOS2ALDH1A1NQO1
SCHEMBL30168459 0.77 KMT2A (0.37) PIN1KDM4EHSD17B10SOS2ALDH1A1
SCHEMBL24679262 0.77 CAMKK2 (0.45) PIN1KDM4ESOS2ALDH1A1MAPT
SCHEMBL31660940 0.77 KDM4E (0.44) KDM4EALDH1A1MAPTNQO1F11
SCHEMBL17712927 0.74 GABRP (0.55) KDM4EALDH1A1SMN1; SMN2CAMKK2
SCHEMBL2373944 0.74 ALDH1A1 (0.41) PIN1KDM4EHSD17B10ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102105437-A Adamantyl diamide derivatives and uses of same LUNDBECK & CO AS H 2011-06-22 CN claimed
WO-2023078401-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-11 WO disclosed
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 US disclosed
US-10239870-B2 Dopamine D3 receptor antagonists INDIVIOR UK LIMITED (GB) 2019-03-26 US disclosed
US-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 US disclosed
US-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 US disclosed
WO-2016067043-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LIMITED (GB) 2016-05-06 WO disclosed
EP-2483255-B1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2013-10-16 EP 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 (5 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-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 PIN1 3601/4885KDM4E 3324/4885ALOX15 3716/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 PIN1 3601/4885KDM4E 3324/4885ALOX15 3716/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 PIN1 3601/4885KDM4E 3324/4885ALOX15 3716/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 PIN1 3601/4885KDM4E 3324/4885ALOX15 3716/4885
US-10239870-B2 Dopamine D3 receptor antagonists DRD3, DRD2, DRD4 PIN1 3633/4885KDM4E 3242/4885ALOX15 3750/4885

“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.