SCHEMBL3522498

SCHEMBL3522498

Clc1ccc2c(c1)N1CCCC=C1c1ccccc1C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.49
DRD4 P21917 6/20 0.49
ACHE P22303 1/20 0.37
ITGA1 P56199 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3522208 0.75 CYP2D6 (0.40) DRD2DRD4ACHEHTR1AADRA2A
SCHEMBL3521538 0.75 DRD2 (0.49) DRD2DRD4HTR1AADRA2AADRA2C
SCHEMBL3522522 0.69 PGR (0.40) DRD2DRD4ITGA1ALDH1A1KDM4E
SCHEMBL3521856 0.68 DRD2 (0.41) DRD2DRD4ALDH1A1KDM4ELMNA
SCHEMBL3785566 0.68 ITGA1 (0.54) DRD2DRD4ACHEITGA1ADRA2A
SCHEMBL1921628 0.68 KDM4E (0.59) DRD2DRD4ITGA1ADRA2AHTR2C
SCHEMBL1115813 0.66 ACHE (0.38) DRD2DRD4ACHEADRA1AALDH1A1
SCHEMBL13934606 0.65 DRD2 (0.75) DRD2DRD4HTR3EHTR3BHTR1A
SCHEMBL6899110 0.62 MAOA (0.67) DRD2DRD4ITGA1CYP1A2ALDH1A1
SCHEMBL10694841 0.62 MAOA (0.67) DRD2DRD4ITGA1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737136-B2 Non-steroidal progesterone receptor modulators N.V. ORGANON (NL) 2010-06-15 US disclosed
EP-1495030-B1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS ORGANON NV (NL) 2008-08-13 EP disclosed
US-20050171087-A1 Non-steroidal progesterone receptor modulators MERCK SHARP & DOHME B.V. (NL) 2005-08-04 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 (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-20050171087-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 DRD2 2299/4885DRD4 2339/4885ACHE 4658/4885

“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.