SCHEMBL12006562

SCHEMBL12006562

CCN(CC)C1Cc2ccccc2C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 4/20 0.70
▸ SIGMAR1 Q99720 2/20 0.57
▸ HTR1A P08908 1/20 0.55
▸ DRD2 P14416 3/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ GHSR Q92847 1/20 0.50

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
SCHEMBL16299407 0.88 DRD3 (0.85) DRD3SIGMAR1HTR1ADRD2
SCHEMBL13741320 0.86 HTR1A (0.75) DRD3SIGMAR1HTR1ADRD2DRD4
SCHEMBL12128220 0.85 DRD3 (0.58) DRD3SIGMAR1HTR1ADRD2CHRM1
SCHEMBL8688812 0.83 DRD3 (1.00) DRD3SIGMAR1HTR1ADRD2
SCHEMBL10533962 0.82 DRD3 (0.50) DRD3SIGMAR1HTR1ADRD2DRD4
Hydrochloric Acid SCHEMBL10618356 0.81 DRD3 (0.49) DRD3SIGMAR1HTR1ADRD2DRD4
SCHEMBL12125958 0.80 DRD3 (0.57) DRD3SIGMAR1HTR1ADRD2DRD4
SCHEMBL13602471 0.75 DRD3 (0.52) DRD3SIGMAR1HTR1ADRD2DRD4
SCHEMBL5794759 0.75 DRD3 (0.71) DRD3SIGMAR1HTR1ADRD2CHRM1
SCHEMBL23248780 0.74 HTR1A (0.46) DRD3HTR1ADRD2DRD4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016151484-A1 DISUBSTITUTED PIPERIDINE DERIVATIVES AS BUTYRYLCHOLINESTERASE INHIBITORS FOR USE IN THE TREATMENT OF ALZHEIMER UNIVERZA V LJUBLJANI (SI) 2016-09-29 — — WO disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 — — EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 — — US disclosed
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 — — CN disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 — — EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 — — WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 — — US disclosed
US-7576238-B2 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 — — US disclosed
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 — — 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 (2 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 DRD3 3993/4885SIGMAR1 1147/4885HTR1A 2664/4885
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives TDO2, ITPA, TTI2 DRD3 3097/4885SIGMAR1 3961/4885HTR1A 3243/4885

“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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