SCHEMBL733997

SCHEMBL733997

Fc1ccc2[nH]cc(CCN3CCCC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 1.00
HTR1A P08908 5/20 0.75
HTR1D P28221 5/20 0.67
HTR1B P28222 5/20 0.67
HTR2A P28223 2/20 0.64
HTR7 P34969 2/20 0.63

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
SCHEMBL733711 0.99 MPO (0.97) MPOHTR1AHTR1DHTR1BHTR2A
SCHEMBL26508398 0.97 MPO (0.94) MPOHTR1AHTR1DHTR1BHTR2A
SCHEMBL27836200 0.89 MPO (1.00) MPOHTR1AHTR1DHTR1BHTR7
SCHEMBL27836191 0.88 MPO (0.78) MPOHTR1AHTR1DHTR1BHTR7
SCHEMBL9541243 0.87 MPO (0.76) MPOHTR1AHTR7
SCHEMBL26508393 0.86 MPO (0.75) MPOHTR1AHTR1DHTR1BHTR2A
SCHEMBL5170221 0.85 MPO (0.77) MPOHTR1AHTR2A
SCHEMBL8557700 0.83 MPO (0.71) MPOHTR1AHTR2AHTR7
SCHEMBL8506914 0.83 HTR1D (0.71) MPOHTR1DHTR1BHTR2A
SCHEMBL2933511 0.83 HTR1A (0.75) MPOHTR1AHTR1DHTR1BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS UNIVERSITE LIBRE DE BEUXELLES (BE) 2012-05-17 US claimed
US-20250136548-A1 FUNCTIONALIZED ALKYLAMINES TERRAN BIOSCIENCES INC (US) 2025-05-01 US disclosed
WO-2023141595-A2 FUNCTIONALIZED ALKYLAMINES TERRAN BIOSCIENCES, INC. (US) 2023-07-27 WO disclosed
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
US-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS UNIVERSITE LIBRE DE BEUXELLES (BE) 2012-05-17 US disclosed
US-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS UNIVERSITE LIBRE DE BEUXELLES (BE) 2012-05-17 US disclosed
US-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS UNIVERSITE LIBRE DE BEUXELLES (BE) 2012-05-17 US disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US 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 (3 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 MPO 4308/4885HTR1A 746/4885HTR1D 1169/4885
US-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS MPO, SERPINB1, MAOA MPO 1/4885HTR1A 37/4885HTR1D 177/4885
US-20250136548-A1 FUNCTIONALIZED ALKYLAMINES BDNF, HTR2A, NTRK2 MPO 896/4885HTR1A 5/4885HTR1D 36/4885

“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.