SCHEMBL443520

SCHEMBL443520

FC(F)(F)c1cc(Cl)ccc1N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.51
HTR3E A5X5Y0 4/20 0.51
HTR3B O95264 4/20 0.51
HTR3D Q70Z44 4/20 0.51
HTR3C Q8WXA8 4/20 0.51
DDR1 Q08345 1/20 0.51
HTR6 P50406 2/20 0.50
ADRB2 P07550 2/20 0.49
NCF1 P14598 2/20 0.48
ADRB1 P08588 5/20 0.47
SIGMAR1 Q99720 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
HTR1A P08908 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL19403739 0.87 HTR3A (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL19385641 0.86 ADRB2 (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL632018 0.84 HTR3A (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL630645 0.83 HTR3A (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL31587131 0.82 HSD11B1 (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3216322 0.82 HSD11B1 (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL14060359 0.81 CDK4 (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL24681546 0.81 POLB (0.59) HTR3APHGDHASIC3
SCHEMBL17115170 0.81 NCF1 (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5252902 0.81 MAPT (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C

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-8716422-B2 Anionic charge-dynamic polymers for release of cationic agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-05-06 US disclosed
US-8574420-B2 Ultrathin multilayered films for controlled release of anionic reagents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-11-05 US disclosed
US-20130122055-A1 Anionic Charge-Dynamic Polymers for Release of Cationic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-16 US disclosed
US-8324333-B2 Anionic charge-dynamic polymers for release of cationic agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-12-04 US disclosed
US-20120065616-A1 Ultrathin Multilayered Films for Controlled Release of Anionic Reagents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-03-15 US disclosed
US-20100048736-A1 ANIONIC CHARGE-DYNAMIC POLYMERS FOR RELEASE OF CATIONIC AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-25 US disclosed
US-20090105375-A1 Ultrathin Multilayered Films for Controlled Release of Anionic Reagents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 US disclosed
WO-2009049100-A2 ULTRATHIN MULTILAYERED FILMS FOR CONTROLLED RELEASE OF ANIONIC REAGENTS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-04-16 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 (2 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-20130122055-A1 Anionic Charge-Dynamic Polymers for Release of Cationic Agents PARG, PARN, CHMP4B HTR3A 1492/4885HTR3E 888/4885HTR3B 1934/4885
US-20100048736-A1 ANIONIC CHARGE-DYNAMIC POLYMERS FOR RELEASE OF CATIONIC AGENTS PARG, PARN, CHMP4B HTR3A 1492/4885HTR3E 888/4885HTR3B 1934/4885

“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.