Sugi Predict

Sugi Predict / Compounds / SCHEMBL906101

SCHEMBL906101

SCHEMBL906101

C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1OCCOCCN

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 13/20 0.40
▸ HTR2A P28223 8/20 0.40
▸ HTR2B P41595 7/20 0.40
▸ KCNH2 Q12809 1/20 0.38
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GSK3B P49841 2/20 0.32

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
SCHEMBL905805 0.95 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2CYP1A2
SCHEMBL906119 0.91 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2CYP1A2
SCHEMBL906122 0.91 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2CYP1A2
SCHEMBL905836 0.91 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2CYP1A2
SCHEMBL6182149 0.90 HTR2C (0.40) HTR2CHTR2AHTR2BKCNH2CYP1A2
SCHEMBL237951 0.89 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL2639684 0.89 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL4313537 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2CYP1A2
SCHEMBL2639295 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2CYP1A2
SCHEMBL5585902 0.86 HTR2C (0.36) HTR2CHTR2AHTR2BKCNH2KDM4E

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
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 — — US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 — — EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 — — US disclosed
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 — — US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 — — EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 — — US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 — — WO disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 — — 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 (4 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A HTR2C 7/4885HTR2A 14/4885HTR2B 13/4885

“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.