SCHEMBL13698460

SCHEMBL13698460

Clc1ccc(N2CCN(C3C4CC5CC(C4)C3C5)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ DRD4 P21917 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40

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
SCHEMBL13698456 0.72 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2APOLBDRD2
SCHEMBL13698426 0.72 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2APOLBKDM4E
SCHEMBL13698420 0.72 ALDH1A1 (0.57) HSD11B1ALDH1A1SMN1; SMN2KMT2AHTR7
SCHEMBL13698453 0.71 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2DRD4DRD2SIGMAR1
SCHEMBL29998630 0.71 HTR3E (0.70) ALDH1A1SMN1; SMN2KMT2ADRD4HPGD
SCHEMBL870704 0.71 HTR3E (0.70) ALDH1A1SMN1; SMN2KMT2ADRD4HPGD
SCHEMBL13698436 0.71 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTR1AHTR2AHTR7
SCHEMBL3453846 0.69 ALDH1A1 (0.54) HSD11B1ALDH1A1SMN1; SMN2HTR7KDM4E
SCHEMBL24163320 0.69 KDM4E (0.46) HSD11B1ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL13698437 0.67 KMT2A (0.54) HSD11B1ALDH1A1SMN1; SMN2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 — — US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 — — 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 (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-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 HSD11B1 2896/4885ALDH1A1 2270/4885SMN1; SMN2 4374/4885

“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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