SCHEMBL3676417

SCHEMBL3676417

O=C(OC(COCc1ccccc1)COCc1ccccc1)[C@@H]1CCCCN1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CTSC P53634 2/20 0.44
TSHR P16473 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SLC6A3 Q01959 4/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 1/20 0.40
DHFR P00374 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5017072 1.00 HTR2C (0.47) HTR2CHTR2BCTSCTSHRCYP3A4
SCHEMBL16586274 0.88 HTR2C (0.46) HTR2CHTR2BCTSCTSHRCYP3A4
SCHEMBL16586276 0.88 HTR2C (0.46) HTR2CHTR2BCTSCTSHRCYP3A4
SCHEMBL16586278 0.88 HTR2C (0.46) HTR2CHTR2BCTSCTSHRCYP3A4
SCHEMBL3674851 0.82 FKBP1A (0.47) HTR2CHTR2BCTSCTSHRCYP3A4
SCHEMBL7220110 0.81 FKBP1A (0.53) HTR2CHTR2BCTSCTSHRCYP3A4
SCHEMBL630942 0.80 TSHR (0.61) HTR2CHTR2BTSHRPOLBALDH1A1
SCHEMBL6727374 0.80 TSHR (0.61) HTR2CHTR2BTSHRPOLBALDH1A1
SCHEMBL31364184 0.80 CTSC (0.53) HTR2CHTR2BCTSCTSHRCYP3A4
Hydrochloric Acid SCHEMBL630943 0.79 TSHR (0.64) HTR2CHTR2BTSHRSLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666053-A1 Methods and compositions for stimulating neurite growth using compounds with affinity for fkbp12 in combination with neurotrophic factors Vertex Pharmceuticals Incorporated (US) 2006-06-07 EP claimed
CN-1168443-C Methods and compsns. for stimulating neurite growth using compounds with affinity for FKBP12 in combination with neurotrophic factors ��̩��˹ҩ��ɷ����޹�˾ 2004-09-29 CN claimed
EP-0754176-B1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMA (US) 2001-12-05 EP claimed
CN-1239434-A Methods and compsns. for stimulating neurite growth using compounds with affinity for FKBP12 in combination with neurotrophic factors VERTED PHARMACEUTICALS INC (US) 1999-12-22 CN claimed
EP-0941113-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS Vertex Pharmaceuticals Incorporated (US) 1999-09-15 EP claimed
US-5780484-A Methods for stimulating neurite growth with piperidine compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-07-14 US claimed
WO-1998020893-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-05-22 WO claimed
US-5744485-A INCREASE SENSITIVITY OF CELLS; CANCER VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-04-28 US claimed
EP-0754176-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE Vertex Pharmaceuticals Incorporated (US) 1997-01-22 EP claimed
WO-1995026337-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-10-05 WO claimed
US-7825136-B2 Potentiators of antibacterial activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-02 US disclosed
US-20090291964-A1 Potentiators of Antibacterial Activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-26 US disclosed
EP-1138673-B1 Novel carbamates and ureas as modifiers of multi-drug resistance VERTEX PHARMA (US) 2008-08-06 EP disclosed
EP-1666053-A1 Methods and compositions for stimulating neurite growth using compounds with affinity for fkbp12 in combination with neurotrophic factors Vertex Pharmceuticals Incorporated (US) 2006-06-07 EP disclosed
US-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals VERTEX PHARMACEUTICALS INCORPORATED 2005-04-28 US disclosed
CN-1239434-A Methods and compsns. for stimulating neurite growth using compounds with affinity for FKBP12 in combination with neurotrophic factors VERTED PHARMACEUTICALS INC (US) 1999-12-22 CN disclosed
EP-0941113-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS Vertex Pharmaceuticals Incorporated (US) 1999-09-15 EP disclosed
US-5780484-A Methods for stimulating neurite growth with piperidine compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-07-14 US disclosed
WO-1998020893-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-05-22 WO disclosed
US-5744485-A INCREASE SENSITIVITY OF CELLS; CANCER VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-04-28 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 (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-20090291964-A1 Potentiators of Antibacterial Activity SLC11A2, MPO, ABCB11 HTR2C 4872/4885HTR2B 4858/4885CTSC 167/4885
US-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals TLR1, ABCB11, SLC7A1 HTR2C 4701/4885HTR2B 4508/4885CTSC 34/4885

“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.