SCHEMBL7783645

SCHEMBL7783645

c1ccc2c3c([nH]c2c1)CN(CC1CCNCC1)CC3

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 1/20 0.62
▸ DRD5 P21918 1/20 0.62
▸ SIGMAR1 Q99720 1/20 0.56
▸ HTR1A P08908 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ ATM Q13315 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ GRIN2B Q13224 1/20 0.52
▸ RCE1 Q9Y256 1/20 0.52

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 SCHEMBL10396301 0.99 DRD1 (0.61) DRD1DRD5SIGMAR1HTR1AKDM4E
SCHEMBL10397237 0.81 DRD1 (0.54) DRD1DRD5SIGMAR1HTR1AMEN1
SCHEMBL17792374 0.81 SIGMAR1 (0.60) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL10396300 0.80 HTR1A (0.60) DRD1DRD5HTR1A
SCHEMBL17517486 0.80 SIGMAR1 (0.68) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL24122147 0.80 SIGMAR1 (0.58) DRD1DRD5SIGMAR1HTR1AKDM4E
SCHEMBL22528276 0.80 SIGMAR1 (0.58) DRD1DRD5SIGMAR1HTR1AKDM4E
SCHEMBL29411058 0.79 SIGMAR1 (0.75) SIGMAR1HTR1AGRIN2B
SCHEMBL10397351 0.78 PRMT5 (0.56) DRD1DRD5HTR1AMEN1KMT2A
Hydrochloric Acid SCHEMBL16335548 0.78 SIGMAR1 (0.73) SIGMAR1HTR1AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1066185-A — — None — — JP 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
US-4977159-A HYPOTENSIVE AGENTS SYNTHELABO (FR) 1990-12-11 — — US disclosed
US-4977159-A HYPOTENSIVE AGENTS SYNTHELABO (FR) 1990-12-11 — — US disclosed
JP-S6466185-A 2-((4-PIPERIDYL)METHYL)-1,2,3,4-TETRAHYDRO-9H- PYRIDO(3,4-B)INDOLE DERIVATIVE, MANUFACTURE AND USE FOR REMEDY SYNTHELABO 1989-03-13 — — JP 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 DRD1 6/4885DRD5 63/4885SIGMAR1 274/4885

“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.

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