SCHEMBL29232191

SCHEMBL29232191

Cc1nnc(CN2CCN(c3cc(CC(C)C)ccc3C#N)CC2)o1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.41
▸ GAA P10253 2/20 0.41
▸ SRPK1 Q96SB4 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AR P10275 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ TNK1 Q13470 1/20 0.33

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
SCHEMBL29232255 0.83 RET (0.39) MAPTGAASMN1; SMN2ALDH1A1POLB
SCHEMBL29232472 0.82 SRPK1 (0.38) SRPK1DRD4KMT2AHTR7PARP1
SCHEMBL30164095 0.82 DRD4 (0.38) MAPTGAAALDH1A1DRD4HTR7
SCHEMBL29232400 0.82 DRD4 (0.38) MAPTGAAALDH1A1DRD4HTR7
SCHEMBL29232270 0.81 RET (0.41) KCNH2DRD4
SCHEMBL29232423 0.81 AURKA (0.36) ALDH1A1POLBKCNH2DRD4KMT2A
SCHEMBL30164111 0.80 DRD4 (0.37) GAAALDH1A1POLBDRD4KMT2A
SCHEMBL29232390 0.80 DRD4 (0.37) GAAALDH1A1POLBDRD4KMT2A
SCHEMBL29232461 0.80 RET (0.43) POLBDRD4HTR7PARP1TNK1
SCHEMBL30918513 0.80 DRD4 (0.36) DRD4HTR7PARP1TNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling CONFO THERAPEUTICS N.V. (BE) 2024-11-07 — — US disclosed
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 — — CN disclosed
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 — — EP disclosed
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 — — 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-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling AGTR2, AGTR1, OPRL1 MAPT 979/4885GAA 3805/4885SRPK1 2773/4885

“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.

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