SCHEMBL22432016

SCHEMBL22432016

CCC(C)(C)c1ccccc1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.53
HTR6 P50406 3/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CYP2C19 P33261 1/20 0.49
HTR1A P08908 3/20 0.48
HTR2A P28223 3/20 0.48
DRD4 P21917 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HTR5A P47898 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL38664325 0.83 ADRB1 (0.59) ADRB1HTR6DRD2DRD3HTR3E
SCHEMBL630979 0.83 ADRB1 (0.59) ADRB1HTR6DRD2DRD3HTR3E
Hydrochloric Acid SCHEMBL631231 0.81 ADRB1 (0.58) ADRB1HTR6DRD2DRD3HTR3E
SCHEMBL5340480 0.80 ADRB1 (0.56) ADRB1HTR6DRD2DRD3HTR3E
SCHEMBL231778 0.76 EPHX2 (0.61) ADRB1HTR6DRD2DRD3HTR3E
SCHEMBL29831977 0.76 EPHX2 (0.61) ADRB1HTR6DRD2DRD3HTR3E
Hydrochloric Acid SCHEMBL16400334 0.75 EPHX2 (0.59) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL15834279 0.74 ADRB1 (0.75) ADRB1HTR6DRD2DRD3HTR3E
SCHEMBL31561598 0.74 HTR1A (0.73) ADRB1HTR6DRD2DRD3HTR3E
SCHEMBL335802 0.74 HTR1A (0.73) ADRB1HTR6DRD2DRD3HTR3E

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-10968179-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-04-06 US disclosed
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use Nocion Therapeutics, Inc. 2020-09-17 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-20200290953-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 ADRB1 250/4885HTR6 2010/4885DRD2 2772/4885
US-10968179-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 ADRB1 250/4885HTR6 2010/4885DRD2 2772/4885

“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.