SCHEMBL1779199

SCHEMBL1779199

COc1ccccc1N1CCN(CC2CCNCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.62
DRD3 P35462 2/20 0.62
HTR3E A5X5Y0 1/20 0.62
HTR3B O95264 1/20 0.62
ADRB1 P08588 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTR3A P46098 1/20 0.62
HTR6 P50406 1/20 0.62
HTR3D Q70Z44 1/20 0.62
HTR3C Q8WXA8 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
HTR1A P08908 4/20 0.59
ADRA1D P25100 4/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
HTR2C P28335 6/20 0.59
HTR2A P28223 2/20 0.59
DRD4 P21917 1/20 0.56

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
SCHEMBL13648739 0.90 DRD2 (0.65) DRD2DRD3HTR1AADRA1DADRA1A
Ammonia Solution, Strong SCHEMBL2320933 0.89 DRD2 (0.64) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL13698446 0.86 DRD2 (0.61) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL1777570 0.85 DRD2 (0.55) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL4915562 0.84 DRD2 (0.59) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL4915560 0.84 DRD2 (0.59) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL7790707 0.81 SLC6A2 (0.66) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL7801405 0.80 DRD2 (0.55) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL3556792 0.80 DRD2 (0.68) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL13698442 0.80 DRD2 (0.57) DRD2DRD3HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US claimed
US-20010014680-A1 1,4-piperazine derivatives WYETH 2001-08-16 US claimed
US-6255302-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US claimed
US-10113049-B2 Thermoplastic resin composition NIPPON NYUKAZAI CO., LTD. (JP) 2018-10-30 US disclosed
CN-104159977-B Thermoplastic resin composition 日本乳化剂株式会社 2017-09-12 CN disclosed
US-20150329698-A1 THERMOPLASTIC RESIN COMPOSITION NIPPON NYUKAZAI CO., LTD. (JP) 2015-11-19 US disclosed
CN-104159977-A Thermoplastic resin composition NIPPON NYUKAZAI CO LTD 2014-11-19 CN disclosed
EP-1140838-A1 1, 4-PIPERAZINE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
US-20010014680-A1 1,4-piperazine derivatives WYETH 2001-08-16 US disclosed
US-6255302-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed
WO-2000035878-A1 1,4-PIPERAZINE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 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-20010014680-A1 1,4-piperazine derivatives ADH1A, ADH1C, SNCA DRD2 12/4885DRD3 32/4885HTR3E 268/4885

“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.