SCHEMBL4229844

SCHEMBL4229844

c1ccc2c(c1)CC1(CCNCC1)CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.42
TSHR P16473 3/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
OPRD1 P41143 3/20 0.38
KCNH2 Q12809 3/20 0.38
OPRK1 P41145 1/20 0.38
USP2 O75604 4/20 0.38
CYP2D6 P10635 3/20 0.38
OPRM1 P35372 1/20 0.36
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 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
SCHEMBL28644317 0.87 OXTR (0.39) OXTRTSHRKMT2ASMN1; SMN2
SCHEMBL236649 0.83 OXTR (0.42) OXTRTSHRKMT2ASMN1; SMN2
SCHEMBL23508721 0.78 TSHR (0.40) TSHRHTR2CHTR2BCYP1A2KMT2A
SCHEMBL29634710 0.78 CHRNB2 (0.41) TSHRUSP2CYP2D6CYP2C9CYP1A2
SCHEMBL24408822 0.78 CHRNB2 (0.41) TSHRUSP2CYP2D6CYP2C9CYP1A2
SCHEMBL22188566 0.77 OPRD1 (0.35) TSHRHTR2CHTR2BOPRD1KCNH2
SCHEMBL762112 0.77 TSHR (0.48) TSHRHTR2CUSP2CYP2D6OPRM1
SCHEMBL29391638 0.77 TSHR (0.48) TSHRHTR2CUSP2CYP2D6OPRM1
Hydrochloric Acid SCHEMBL25400579 0.75 TSHR (0.47) TSHRHTR2CUSP2CYP2D6OPRM1
SCHEMBL7323601 0.73 OXTR (0.40) OXTRHTR2CHTR2BOPRD1KCNH2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
EP-1866315-A1 1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-12-19 EP disclosed
WO-2006092731-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR USE AS OXYTOCIN ANTAGONISTS PFIZER LIMTED (GB) 2006-09-08 WO disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
EP-0859004-B1 Piperidine derivatives having anxiolytic effect LUNDBECK & CO AS H (DK) 2003-05-02 EP disclosed
US-6207677-B1 ADMINISERING SIGMA RECEPTOR BINDING PIPERIDINE DERIVATIVE FOR TREATING ANXIETY, EPILEPSY, CONVULSION, MOVEMENT DISORDER, AMNESIA H. LUNDBECK A/S (DK) 2001-03-27 US disclosed
US-6031099-A Piperidine derivates having anxiolytic effect H. LUNDBECK A/S (DK) 2000-02-29 US 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
US-5665725-A Piperidine derivatives having anxiolytic effect Lundbeck, H. (DK) 1997-09-09 US disclosed
EP-0593511-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1994-04-27 EP disclosed
WO-1992022554-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1992-12-23 WO 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 (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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 OXTR 199/4885TSHR 68/4885HTR2C 1851/4885

“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.