SCHEMBL7053211

SCHEMBL7053211

c1cc(N2CCNCC2)c2nonc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR6 P50406 2/20 0.49
MET P08581 2/20 0.47
ADRB1 P08588 5/20 0.46
NCF1 P14598 2/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR7 P34969 1/20 0.46
MTOR P42345 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
Hydrochloric Acid SCHEMBL5363544 0.98 HTR2A (0.51) HTR2AHTR2CSLC6A4HTR6MET
SCHEMBL17109415 0.85 KMT2A (0.54) TSHRHSD17B10ALDH1A1LMNAPOLB
SCHEMBL6391081 0.83 KMT2A (0.57) NCF1TSHRHSD17B10ALDH1A1LMNA
SCHEMBL5363405 0.75 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR6ADRB1
SCHEMBL21224877 0.75 ALDH1A1 (0.46) HTR6ALDH1A1LMNAPOLBPKM
SCHEMBL4888354 0.74 KMT2A (0.56) HTR2AHTR2CSLC6A4HTR6ADRB1
Hydrochloric Acid SCHEMBL5251427 0.73 KMT2A (0.55) HTR2AHTR2CSLC6A4HTR6ADRB1
SCHEMBL9220891 0.73 POLB (0.40) HTR3EHTR3BCYP1A2CYP2D6TSHR
SCHEMBL15834279 0.70 ADRB1 (0.75) HTR2ASLC6A4HTR6ADRB1NCF1
SCHEMBL3289568 0.69 HTR2A (0.50) HTR2AHTR2CSLC6A4HTR6ADRB1

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-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E HTR2A 8/4885HTR2C 6/4885SLC6A4 90/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C HTR2A 8/4885HTR2C 3/4885SLC6A4 62/4885

“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.