SCHEMBL2359795

SCHEMBL2359795

c1ccc2c(c1)COCC21CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.41
HTR2A P28223 3/20 0.41
DRD2 P14416 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
OPRM1 P35372 2/20 0.36
AKT1 P31749 1/20 0.33
HTR2B P41595 1/20 0.32
BACE1 P56817 1/20 0.32
TSHR P16473 1/20 0.32

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 SCHEMBL1588576 0.98 HTR2A (0.40) HTR2CHTR2ADRD2SLC6A2SLC6A4
SCHEMBL19828185 0.87 SIGMAR1 (0.33) HTR2CHTR2ADRD2SIGMAR1HTR2B
SCHEMBL29793198 0.87 SIGMAR1 (0.33) HTR2CHTR2ADRD2SIGMAR1HTR2B
SCHEMBL30291391 0.82 SIGMAR1 (0.38) HTR2CHTR2ADRD2SIGMAR1HTR2B
SCHEMBL3400338 0.79
SCHEMBL12017681 0.76 HTR2A (0.47) HTR2CHTR2ADRD2SLC6A2SLC6A4
SCHEMBL44425 0.74 HTR2A (0.55) HTR2CHTR2ADRD2SLC6A2SLC6A4
SCHEMBL30676406 0.74 HTR2A (0.55) HTR2CHTR2ADRD2SLC6A2SLC6A4
SCHEMBL22507670 0.74 CA1 (0.32) SIGMAR1
SCHEMBL12964445 0.73 CYP2D6 (0.44) SIGMAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-8664216-B2 Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2014-03-04 US disclosed
US-8664216-B2 Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2014-03-04 US disclosed
EP-2356123-B1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2012-10-03 EP disclosed
EP-2356123-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
US-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists PFIZER INC. 2011-04-21 US disclosed
US-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists PFIZER INC. 2011-04-21 US disclosed
WO-2010054961-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2010-05-13 US disclosed
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2010-05-13 US disclosed
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed
US-5807871-A PSYCHOLOGICAL DISORDERS, ALZHEIMER OR PARKINSON DISEASE H. LUNDBECK A/S (DK) 1998-09-15 US disclosed
EP-0593511-B1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT LUNDBECK & CO AS H (DK) 1998-09-02 EP disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP 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-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES AVPR1A, OXTR, AVPR1B HTR2C 114/4885HTR2A 68/4885DRD2 141/4885
US-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists OXTR, PRLHR, KISS1R HTR2C 284/4885HTR2A 889/4885DRD2 245/4885

“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.