SCHEMBL20876211

SCHEMBL20876211

Clc1cc2c(c(N3CCNCC3)c1)Sc1ccccc1C=N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.42
ADRB1 P08588 4/20 0.40
TRPA1 O75762 1/20 0.40
HTR3A P46098 8/20 0.38
HTR1A P08908 7/20 0.38
CYP1A2 P05177 6/20 0.38
CYP3A4 P08684 6/20 0.38
CYP2D6 P10635 6/20 0.38
CYP2C9 P11712 5/20 0.38
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM5 P08912 1/20 0.36
DRD1 P21728 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL20951588 0.86 HRH4 (0.45) DRD2ADRB1TRPA1HTR3AHTR1A
SCHEMBL31441000 0.74 HTR6 (0.43) DRD2ADRB1TRPA1HTR3AHTR1A
SCHEMBL1568098 0.68 DRD2 (0.51) DRD2ADRB1TRPA1HTR3AHTR1A
SCHEMBL8130625 0.67 TRPA1 (0.66) DRD2TRPA1HTR3AHTR1ACHRM2
Hydrochloric Acid SCHEMBL4234715 0.67 DRD2 (0.50) DRD2ADRB1TRPA1HTR3AHTR1A
Hydrochloric Acid SCHEMBL1773502 0.67 DRD2 (0.50) DRD2ADRB1TRPA1HTR3AHTR1A
SCHEMBL5565939 0.67 CYP1A2 (0.47) DRD2ADRB1HTR3AHTR1ACYP1A2
SCHEMBL3258474 0.65 DRD2 (0.48) DRD2ADRB1TRPA1HTR3AHTR1A
SCHEMBL28762409 0.64 ADRB1 (0.51) DRD2ADRB1HTR3AHTR1ACYP1A2
SCHEMBL15263752 0.64 HTR3A (0.44) DRD2ADRB1HTR3AHTR1ACYP1A2

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-11518755-B2 Stable solutions of multicyclic antidepressants LEYDEN TECHNOLOGIES B.V. (NL) 2022-12-06 US disclosed
US-20200290999-A1 Stable solutions of multicyclic antidepressants LEYDEN TECHNOLOGIES B.V. (NL) 2020-09-17 US disclosed
EP-3691651-A1 STABLE SOLUTIONS OF MULTICYCLIC ANTIDEPRESSANTS Leyden Technologies B.V. (NL) 2020-08-12 EP disclosed
WO-2019068859-A1 STABLE SOLUTIONS OF MULTICYCLIC ANTIDEPRESSANTS LEYDEN TECHNOLOGIES B.V. (NL) 2019-04-11 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 (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-11518755-B2 Stable solutions of multicyclic antidepressants TPH1, BDNF, TPH2 DRD2 27/4885ADRB1 259/4885TRPA1 2415/4885
US-20200290999-A1 Stable solutions of multicyclic antidepressants TPH1, BDNF, TPH2 DRD2 27/4885ADRB1 259/4885TRPA1 2415/4885

“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.