Sugi Predict

Sugi Predict / Compounds / SCHEMBL653565

SCHEMBL653565

SCHEMBL653565

BrCCC=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.63
▸ CYP1A2 P05177 4/20 0.63
▸ RET P07949 3/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ SLC6A2 P23975 6/20 0.62
▸ HRH1 P35367 6/20 0.62
▸ HTR2B P41595 5/20 0.62
▸ KCNH2 Q12809 5/20 0.62
▸ LMNA P02545 4/20 0.62
▸ CHRM2 P08172 4/20 0.62
▸ ADRA2A P08913 4/20 0.62
▸ CYP2D6 P10635 4/20 0.62
▸ CHRM1 P11229 4/20 0.62
▸ DRD2 P14416 4/20 0.62
▸ ADRA2B P18089 4/20 0.62
▸ ADRA2C P18825 4/20 0.62
▸ CHRM3 P20309 4/20 0.62
▸ HTR2A P28223 4/20 0.62
▸ HTR2C P28335 4/20 0.62
▸ SLC6A4 P31645 4/20 0.62

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
SCHEMBL15908322 0.89 CYP3A4 (0.50) CYP3A4CYP1A2RETCYP2C19SLC6A2
SCHEMBL6962472 0.86 CYP3A4 (0.54) CYP3A4CYP1A2RETCYP2C19SLC6A2
SCHEMBL16938066 0.86 CYP3A4 (0.54) CYP3A4CYP1A2RETCYP2C19SLC6A2
SCHEMBL11202872 0.86 CYP3A4 (0.50) CYP3A4CYP1A2RETCYP2C19SLC6A2
SCHEMBL11202871 0.86 CYP3A4 (0.50) CYP3A4CYP1A2RETCYP2C19SLC6A2
SCHEMBL8936293 0.85 CYP3A4 (0.49) CYP3A4CYP1A2RETCYP2C19SLC6A2
SCHEMBL6736351 0.84 SLC6A2 (0.56) CYP3A4CYP1A2RETCYP2C19SLC6A2
SCHEMBL8936307 0.83 CYP3A4 (0.47) CYP3A4CYP1A2RETCYP2C19SLC6A2
SCHEMBL7815467 0.81 CYP1A2 (0.41) CYP3A4CYP1A2RETCYP2C19SLC6A2
SCHEMBL18486427 0.81 SLC6A2 (0.67) CYP3A4CYP1A2RETCYP2C19SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250073204-A1 ANALOGS OF CYCLOBENZAPRINE AND AMITRYPTILENE TONIX Pharmaceuticals Holding Corp (US) 2025-03-06 — — US disclosed
US-12156864-B2 Analogs of cyclobenzaprine and amitryptilene TONIX Pharmaceuticals Holding Corp (US) 2024-12-03 — — US disclosed
US-20230149348-A1 ANALOGS OF CYCLOBENZAPRINE AND AMITRYPTILENE TONIX Pharmaceuticals Holding Corp (US) 2023-05-18 — — US disclosed
US-11517557-B2 Analogs of cyclobenzaprine and amitriptyline TONIX PHARMACEUTICALS HOLDING CORP. (US) 2022-12-06 — — US disclosed
US-20200230104-A1 ANALOGS OF CYCLOBENZAPRINE AND AMITRYPTILENE TONIX Pharmaceuticals Holding Corp (US) 2020-07-23 — — US disclosed
EP-3651751-A1 ANALOGS OF CYCLOBENZAPRINE AND AMITRYPTILENE Tonix Pharmaceuticals Holding Corp. (US) 2020-05-20 — — EP disclosed
WO-2019014651-A1 ANALOGS OF CYCLOBENZAPRINE AND AMITRYPTILENE TONIX PHARMACEUTICALS HOLDING CORP. (US) 2019-01-17 — — WO disclosed
US-9725431-B2 Oligomer-tricyclic conjugates NEKTAR THERAPEUTICS (US) 2017-08-08 — — US disclosed
US-9725431-B2 Oligomer-tricyclic conjugates NEKTAR THERAPEUTICS (US) 2017-08-08 — — US disclosed
US-9725431-B2 Oligomer-tricyclic conjugates NEKTAR THERAPEUTICS (US) 2017-08-08 — — US disclosed
WO-1998015548-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1998-04-16 — — WO disclosed
EP-0820443-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 — — EP disclosed
EP-0820451-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 — — EP disclosed
EP-0812318-A1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 1997-12-17 — — EP disclosed
US-5668129-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-09-16 — — US disclosed
WO-1997022338-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1997-06-26 — — WO disclosed
US-5595989-A ANTIINFLAMMATORY AGENTS AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-01-21 — — US disclosed
WO-1996031481-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 — — WO disclosed
WO-1996031498-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 — — WO disclosed
WO-1996026929-A1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 1996-09-06 — — 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 (5 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-11517557-B2 Analogs of cyclobenzaprine and amitriptyline CRH, HTR5A, HTR2A CYP3A4 416/4885CYP1A2 194/4885RET 4860/4885
US-20230149348-A1 ANALOGS OF CYCLOBENZAPRINE AND AMITRYPTILENE HTR5A, HTR2A, HTR1D CYP3A4 516/4885CYP1A2 310/4885RET 4857/4885
US-20200230104-A1 ANALOGS OF CYCLOBENZAPRINE AND AMITRYPTILENE HTR5A, CRH, HTR3B CYP3A4 859/4885CYP1A2 615/4885RET 4812/4885
US-20250073204-A1 ANALOGS OF CYCLOBENZAPRINE AND AMITRYPTILENE HTR5A, HTR1D, HTR3B CYP3A4 684/4885CYP1A2 541/4885RET 4855/4885
US-12156864-B2 Analogs of cyclobenzaprine and amitryptilene HTR5A, HTR2A, HTR1D CYP3A4 516/4885CYP1A2 310/4885RET 4857/4885

“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.