SCHEMBL2499345

SCHEMBL2499345

Clc1ccc2c(c1)CCC21CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.47
HTR2A P28223 7/20 0.47
HTR2B P41595 5/20 0.47
PNMT P11086 1/20 0.45
KDM1A O60341 5/20 0.42
SIGMAR1 Q99720 2/20 0.40
SRD5A1 P18405 2/20 0.40
CRBN Q96SW2 1/20 0.38
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CNR1 P21554 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
F7 P08709 1/20 0.35
PARP1 P09874 1/20 0.35

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 SCHEMBL2493252 0.98 HTR2C (0.46) HTR2CHTR2AHTR2BPNMTKDM1A
SCHEMBL31758538 0.90 HTR2C (0.55) HTR2CHTR2AHTR2BPNMTKDM1A
SCHEMBL2496848 0.89 HTR2A (0.55) HTR2CHTR2AHTR2BPNMTKDM1A
Hydrochloric Acid SCHEMBL2492938 0.87 HTR2A (0.54) HTR2CHTR2AHTR2BPNMTKDM1A
SCHEMBL12190383 0.81 HTR2A (0.39) HTR2CHTR2AHTR2BKDM1ASRD5A1
SCHEMBL2498088 0.81 PNMT (0.45) HTR2CHTR2AHTR2BPNMTKDM1A
Hydrochloric Acid SCHEMBL2497611 0.79 HTR2A (0.38) HTR2CHTR2AHTR2BKDM1ASRD5A1
SCHEMBL25358373 0.78 HTR2C (0.52) HTR2CHTR2AHTR2BPNMTKDM1A
SCHEMBL1222048 0.76 HTR2A (0.61) HTR2CHTR2AKDM1ASIGMAR1CRBN
SCHEMBL28549228 0.75 DRD2 (0.41) HTR2ASIGMAR1

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
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
EP-2010523-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-01-07 EP disclosed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 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 (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-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS NR3C2, DRD3, TACR1 HTR2C 170/4885HTR2A 428/4885HTR2B 517/4885

“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.