SCHEMBL3324347

SCHEMBL3324347

c1ccc(COc2ccccc2OCC2CCCNC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.51
SLC6A2 P23975 4/20 0.51
SLC6A3 Q01959 4/20 0.51
HTR1A P08908 3/20 0.51
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
KIT P10721 1/20 0.45
PIM1 P11309 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
C5AR1 P21730 1/20 0.44
EED O75530 1/20 0.44

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
SCHEMBL27751588 1.00 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR1ACHRNB2
Hydrochloric Acid SCHEMBL3325366 0.99 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR1ACHRNB2
Hydrochloric Acid SCHEMBL3325369 0.99 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR1ACHRNB2
Tert-Butyl Formate SCHEMBL27751591 0.88 IKBKB (0.42) SLC6A4SLC6A2SLC6A3HTR1ACHRNB2
Tert-Butyl Formate SCHEMBL27751594 0.88 IKBKB (0.42) SLC6A4SLC6A2SLC6A3HTR1ACHRNB2
SCHEMBL3324651 0.86 IKBKB (0.49) SLC6A4SLC6A2SLC6A3HTR1ACHRNB2
SCHEMBL3324657 0.86 IKBKB (0.49) SLC6A4SLC6A2SLC6A3HTR1ACHRNB2
SCHEMBL7327361 0.86 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7328352 0.85 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL3325725 0.83 IKBKB (0.53) SLC6A4SLC6A2SLC6A3HTR1ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 US disclosed
CN-101506164-A Piperidine derivatives PFIZER PROD INC (US) 2009-08-12 CN disclosed
EP-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 EP disclosed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 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-20100120858-A1 Piperidine Derivatives P2RX5, P2RX7, P2RX1 SLC6A4 1898/4885SLC6A2 2609/4885SLC6A3 2073/4885

“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.